HIT ID: HIT212068162
Cas No: 1535-17-7
分子式: C25H31Cl2F3N2O2S
分子量: 551.49
常用名: 2-(2-(4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride
常用名: 2-(2-(4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 4.4498124
IUPAC: 2-[2-(4-{3-[(9E)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethoxy]ethan-1-ol dihydrochloride
IUPAC: 2-[2-(4-{3-[(9E)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethoxy]ethan-1-ol dihydrochloride
SMILES: Cl.Cl.OCCOCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
SMILES: Cl.Cl.OCCOCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
InChI key: AJLQNNHGRZKSBV-JTEAASRHSA-N
