NAROPARCIL

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 238M5105OY

Structure

InChI Key IMAFEPKOGMHYNH-LULLPPNCSA-N
Smiles O[C@@H]1CS[C@@H](Sc2ccc(cc2)C(=O)c3ccc(cc3)C#N)[C@H](O)[C@H]1O
InChI
InChI=1S/C19H17NO4S2/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)26-19-18(24)17(23)15(21)10-25-19/h1-8,15,17-19,21,23-24H,10H2/t15-,17+,18-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N1O4S2
Molecular Weight 387.06
AlogP 2.04
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 101.55
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 120819-70-7
NORMAN SUSDAT
FDA SRS 238M5105OY
CONTENTS