O-304 (100mg x 30 Capsules)

Properties

Molecular Formula
C16H11Cl2N3O2S

Molecular Weight
380.2

Monoisotopic Mass
378.9949032

Polar Area
87.1

Complexity
515

XLogP
4.1

Heavy Atom Count
24

Hydrogen Bond Donor Count
1

Hydrogen Bond Acceptor Count
3

Rotatable Bond Count
4

PubChem LCSS
O-304 Laboratory Chemical Safety Summary

Identifiers

CID
50923806

InChI
InChI=1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23)

InChIKey
WEDWLYRQKUTOAX-UHFFFAOYSA-N

Isometric SMILES
C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl

Canonical SMILES
C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl

IUPAC Name
4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide