N-(4-fluorophenyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(4-fluorophenyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0635 |
| Compound Name: | N-(4-fluorophenyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C26 H27 F N2 O2 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)SC)C(Nc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1876 |
| logD: | 3.2447 |
| logSw: | -5.1242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.012 |
| InChI Key: | UWPOMKCAEHACPE-QHCPKHFHSA-N |