benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7868 |
| Compound Name: | benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 452.89 |
| Molecular Formula: | C24 H21 Cl N2 O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5532 |
| logD: | 0.9149 |
| logSw: | -4.8246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.859 |
| InChI Key: | CXTIYVYYLAAPQE-QFIPXVFZSA-N |