THIAZESIM

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 44G76ZB85O

Structure

InChI Key QJJXOEFWXSQISU-UHFFFAOYSA-N
Smiles [H+].[Cl-].CN(C)CCN1C(=O)CC(Sc2ccccc12)c3ccccc3
InChI
InChI=1S/C19H22N2OS/c1-20(2)12-13-21-16-10-6-7-11-17(16)23-18(14-19(21)22)15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2O1S1
Molecular Weight 326.15
AlogP 3.82
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 23.55
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 5845-26-1
NORMAN SUSDAT
FDA SRS 44G76ZB85O
CONTENTS