HIT ID: HIT212666878
Cas No: 220519-06-2
分子式: C20H27F3N6OS
分子量: 456.53
常用名: A-437203
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.064916
IUPAC: 2-[(3-{4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}propyl)sulfanyl]-3,4-dihydropyrimidin-4-one
IUPAC: 2-[(3-{4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}propyl)sulfanyl]-3,4-dihydropyrimidin-4-one
SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1
SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1
InChI key: KXVAICSRMHXLJN-UHFFFAOYSA-N