TOLUFAZEPAM

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 98SR74X50D

Structure

InChI Key FFZOBTGTWSRRMB-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)[S](=O)(=O)CCN2C(=O)CN=C(c3ccccc3Cl)c4cc(Cl)ccc24
InChI
InChI=1S/C24H20Cl2N2O3S/c1-16-6-9-18(10-7-16)32(30,31)13-12-28-22-11-8-17(25)14-20(22)24(27-15-23(28)29)19-4-2-3-5-21(19)26/h2-11,14H,12-13,15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20Cl2N2O3S1
Molecular Weight 486.06
AlogP 4.96
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 66.81
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 86273-92-9
NORMAN SUSDAT
FDA SRS 98SR74X50D
CONTENTS