2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0639 |
| Compound Name: | 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H27 F3 N2 O2 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)SC)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2018 |
| logD: | 4.2589 |
| logSw: | -5.7274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.012 |
| InChI Key: | PDLIXUICZQBEGL-QHCPKHFHSA-N |