4-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0221 |
| Compound Name: | 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(Nc1ccc(C)cn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8195 |
| logD: | 2.7898 |
| logSw: | -5.0858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.798 |
| InChI Key: | YHBLRLYVPYMZKQ-QFIPXVFZSA-N |