HIT ID: HIT212671064
Cas No: 1228184-65-3
分子式: C32H26F3N3O7
分子量: 621.569
常用名: BIX-01338 hydrate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 7.3116446
IUPAC: 1-{2-[4-(4-methoxybenzoyloxy)phenyl]ethyl}-2-[4-(trifluoromethyl)benzamido]-1H-1,3-benzodiazole-5-carboxylic acid hydrate
IUPAC: 1-{2-[4-(4-methoxybenzoyloxy)phenyl]ethyl}-2-[4-(trifluoromethyl)benzamido]-1H-1,3-benzodiazole-5-carboxylic acid hydrate
SMILES: O.COc1ccc(cc1)C(=O)Oc1ccc(CCn2c(NC(=O)c3ccc(cc3)C(F)(F)F)nc3cc(ccc23)C(O)=O)cc1
SMILES: O.COc1ccc(cc1)C(=O)Oc1ccc(CCn2c(NC(=O)c3ccc(cc3)C(F)(F)F)nc3cc(ccc23)C(O)=O)cc1
InChI key: LLTPCGBKXOESTJ-UHFFFAOYSA-N
