HIT ID: HIT212671322
Cas No: 936350-00-4
分子式: C38H43N3O4S
分子量: 637.84
常用名: Fiboflapon
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 7.9195256
IUPAC: 3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
IUPAC: 3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
SMILES: CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
SMILES: CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
InChI key: DFQGDHBGRSTTHX-UHFFFAOYSA-N
