HIT ID: HIT212708971
Cas No: 155512-52-0
分子式: C22H24Cl3N3OS
分子量: 484.86
常用名: DIPPA hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 5.6900005
IUPAC: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl]-N-methylacetamide hydrochloride
IUPAC: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl]-N-methylacetamide hydrochloride
SMILES: Cl.CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
SMILES: Cl.CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI key: BNWYENYHNOESCX-ZMBIFBSDSA-N