HIT ID: HIT212673047
Cas No: 87051-43-2
分子式: C27H25F2N3OS
分子量: 477.57
常用名: Ritanserin
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 5.3129544
IUPAC: 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
IUPAC: 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILES: [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
SMILES: [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
InChI key: JUQLTPCYUFPYKE-UHFFFAOYSA-N
