HIT ID: HIT212019653
Cas No: 1353625-73-6
分子式: C24H30ClN7O3S
分子量: 532.06
常用名: Presatovir
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 1.2793716
IUPAC: N-{2-[(2S)-2-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}piperidine-1-carbonyl]-4-chlorophenyl}methanesulfonamide
IUPAC: N-{2-[(2S)-2-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}piperidine-1-carbonyl]-4-chlorophenyl}methanesulfonamide
SMILES: Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O
SMILES: Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChI key: GOFXWTVKPWJNGD-UWJYYQICSA-N
