HIT ID: HIT100574380

Cas No: 444792-16-9

分子式: C18H14Cl2N4O2S3

分子量: 485.42

常用名: N-(4-chlorophenyl)-2-{[5-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide, Cy-FBP/SBPase-IN-1

氢键受体数 (HBA): 6

氢键供体数 (HBD): 2

LogP: 6.364

IUPAC: N-(4-chlorophenyl)-2-{[5-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

SMILES: Clc1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(Cl)cc3)s2)cc1

InChI key: CAADZXPPXDWQSZ-UHFFFAOYSA-N