methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8651 |
| Compound Name: | methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 376.79 |
| Molecular Formula: | C18 H17 Cl N2 O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0389 |
| logD: | -0.8568 |
| logSw: | -3.7547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.176 |
| InChI Key: | RFBJOFULTMRWRX-INIZCTEOSA-N |