4-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0752 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 504.89 |
| Molecular Formula: | C25 H20 Cl F3 N2 O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2099 |
| logD: | 3.6512 |
| logSw: | -5.8378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.43 |
| InChI Key: | RWPJXSOHMITZQF-QFIPXVFZSA-N |