ZOFENOPRILAT

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4G4WDK2YBS
EPA CompTox DTXSID50231443

Structure

InChI Key UQWLOWFDKAFKAP-WXHSDQCUSA-N
Smiles C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
InChI
InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19NO3S2
Molecular Weight 325.08
AlogP 2.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 57.61
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 75176-37-3
NORMAN SUSDAT
FDA SRS 4G4WDK2YBS
PubChem 3034048
ChemSpider 2298589.0
CONTENTS