4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6368 |
| Compound Name: | 4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 619.73 |
| Molecular Formula: | C33 H35 F2 N5 O3 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(CSc2nc(C)cc(C(F)F)n2)c1)OC)C(Nc1ccc(C)cn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0409 |
| logD: | 4.0112 |
| logSw: | -5.368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.176 |
| InChI Key: | HEGZDHXSJVILOC-NDEPHWFRSA-N |