cyclohexyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclohexyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclohexyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6583 |
| Compound Name: | cyclohexyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C23 H25 Cl N2 O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(ccc1[Cl])[N+]([O-])=O)C(=O)OC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5821 |
| logD: | 1.8495 |
| logSw: | -5.9021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.387 |
| InChI Key: | IPOXFBRCQVZDRD-NRFANRHFSA-N |