HIT ID: HIT212711793
Cas No: 58045-23-1
分子式: C22H27Cl3N2OS
分子量: 473.88
常用名: Zuclopenthixol dihydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 4.222984
IUPAC: 2-(4-{3-[(9Z)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dihydrochloride
IUPAC: 2-(4-{3-[(9Z)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dihydrochloride
SMILES: Cl.Cl.OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
SMILES: Cl.Cl.OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
InChI key: LPWNZMIBFHMYMX-MHKBYHAFSA-N