HIT ID: HIT212712571
Cas No: 1400699-64-0
分子式: C27H21F3N2O5S
分子量: 542.53
常用名: Elismetrep
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 6.6453
IUPAC: 4-[(4-cyclopropylisoquinolin-3-yl)({[4-(trifluoromethoxy)phenyl]methyl})sulfamoyl]benzoic acid
IUPAC: 4-[(4-cyclopropylisoquinolin-3-yl)({[4-(trifluoromethoxy)phenyl]methyl})sulfamoyl]benzoic acid
SMILES: OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C1CC1
SMILES: OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C1CC1
InChI key: CWEFDWIKLABKBX-UHFFFAOYSA-N
