(1R,3S,5S)-1,3-Di(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyltetrahydro-8H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one | CAS No. 491833-25-1

(1R,3S,5S)-1,3-Di(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyltetrahydro-8H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one

Basic Information

CAS Number

491833-25-1

Molecular Formula

C28H25NO7

Molecular Weight

487.51 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (2.3E-3 g/L) (25 ºC),

O=C1OCC(N2C(OC(C12)C1=CC=C2OCCOC2=C1)C1=CC=C2OCCOC2=C1)C1=CC=CC=C1

InChI

InChI=1S/C28H25NO7/c30-28-25-26(18-6-8-21-23(14-18)33-12-10-31-21)36-27(19-7-9-22-24(15-19)34-13-11-32-22)29(25)20(16-35-28)17-4-2-1-3-5-17/h1-9,14-15,20,25-27H,10-13,16H2

InChIKey

AUTOGSSEBVUJMZ-UHFFFAOYSA-N

LogP

3.967800000000003

Topological Polar Surface Area

75.69000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

790

Synonyms & References

English

  • Eliglustat intermediate 2
  • BCP19917

MDL Number

MFCD30532944

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