HIT ID: HIT212083169
Cas No: 145821-59-6
分子式: C20H26ClNO2S2
分子量: 412
常用名: Tiagabine hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 2.775
IUPAC: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride
IUPAC: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride
SMILES: Cl.[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
SMILES: Cl.[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
InChI key: YUKARLAABCGMCN-PKLMIRHRSA-N
