methyl 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-1288 |
| Compound Name: | methyl 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C26 H26 Cl N3 O5 |
| Smiles: | Cc1c(cccc1[Cl])N1C2CC(C)(C)CC(C=2C(C(=C1N)C(=O)OC)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8155 |
| logD: | 4.8155 |
| logSw: | -5.0943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.575 |
| InChI Key: | NSPDZFWECPNBCN-NRFANRHFSA-N |