N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4306-0859 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 527.03 |
| Molecular Formula: | C24 H22 Cl F3 N2 O2 S2 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(C)sc1SC)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5352 |
| logD: | 4.9367 |
| logSw: | -6.3486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.333 |
| InChI Key: | SOQSHRXVYINONQ-FQEVSTJZSA-N |