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tert-butyl (R)-4-(4-(phenylthio)-3-((4-sulfamoyl-2-((trifluoromethyl)sulfonyl)phenyl)amino)butyl)piperazine-1-carboxylate | CAS No. 2363075-97-0

tert-butyl (R)-4-(4-(phenylthio)-3-((4-sulfamoyl-2-((trifluoromethyl)sulfonyl)phenyl)amino)butyl)piperazine-1-carboxylate

Basic Information

Chemical_Structure_Of

CAS Number

2363075-97-0

Molecular Formula

C26H35F3N4O6S3

Molecular Weight

652.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

776.8±70.0 °C(Predicted)

Density

1.44±0.1 g/cm3(Predicted)

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H35F3N4O6S3/c1-25(2,3)39-24(34)33-15-13-32(14-16-33)12-11-19(18-40-20-7-5-4-6-8-20)31-22-10-9-21(42(30,37)38)17-23(22)41(35,36)26(27,28)29/h4-10,17,19,31H,11-16,18H2,1-3H3,(H2,30,37,38)/t19-/m1/s1

InChIKey

IWMVWBZUVOYROV-LJQANCHMSA-N

LogP

4.143100000000003

pKa

9.46±0.60(Predicted)

Topological Polar Surface Area

139.10999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1090

Synonyms & References

English

tert-butyl (R)-4-(4-(phenylthio)-3-((4-sulfamoyl-2-((trifluoromethyl)sulfonyl)phenyl)amino)butyl)piperazine-1-carboxylate
tert-butyl 4-[(3R)-4-phenylsulfanyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)anilino]butyl]piperazine-1-carboxylate
2363075-97-0
IWMVWBZUVOYROV-LJQANCHMSA-N
SCHEMBL22581203
1-Piperazinecarboxylic acid, 4-[(3R)-3-[[4-(aminosulfonyl)-2-[(trifluoromethyl)sulfonyl]phenyl]amino]-4-(phenylthio)butyl]-, 1,1-dimethylethyl ester

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

Nanjing Chenxuan Pharmaceutical Technology Co., Ltd.

CAS Number: 2363075-97-0