4-IMIDAZOLIDINONE, 5,5-DIPHENYL-2-THIOXO-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 13Y6ZC0YR8
EPA CompTox DTXSID9066677

Structure

InChI Key AMDPNECWKZZEBQ-UHFFFAOYSA-N
Smiles O=C1NC(=S)NC1(c1ccccc1)c1ccccc1
InChI
InChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12N2O1S1
Molecular Weight 268.07
AlogP 3.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.95
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 21083-47-6
NORMAN SUSDAT
FDA SRS 13Y6ZC0YR8
PubChem 854150
ChemSpider 746522.0
CONTENTS