HIT ID: HIT100595224
Cas No: 301177-36-6
分子式: C18H15F3N4O3S
分子量: 424.4
常用名: RH01386
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.39
IUPAC: 4-cyclohexyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
IUPAC: 4-cyclohexyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SMILES: [O-][N+](=O)c1cc(ccc1Sc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1)C(F)(F)F
SMILES: [O-][N+](=O)c1cc(ccc1Sc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1)C(F)(F)F
InChI key: BVWCKDMNROTYMZ-UHFFFAOYSA-N
