HIT ID: HIT212651117
Cas No: T4261
分子式: C27H29ClN6O3S
分子量: 553.08
常用名: BPR1J-097 hydrochloride (1327167-19-0(free base))
常用名: BPR1J-097 hydrochloride (1327167-19-0(free base))
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 3.4585593
IUPAC: N-[5-(3-benzenesulfonamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide hydrochloride
IUPAC: N-[5-(3-benzenesulfonamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide hydrochloride
SMILES: Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc([nH]n1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
SMILES: Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc([nH]n1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
InChI key: XJWDSJHUJUNLGQ-UHFFFAOYSA-N
