2-methoxyethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methoxyethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8663 |
| Compound Name: | 2-methoxyethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C20 H21 Cl N2 O6 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(ccc1[Cl])[N+]([O-])=O)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1004 |
| logD: | -0.6322 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.693 |
| InChI Key: | VQKJUBNVBBGHMB-SFHVURJKSA-N |