cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2576-4133 |
| Compound Name: | cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 565.02 |
| Molecular Formula: | C30 H29 Cl N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OC1CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0352 |
| logD: | 2.5549 |
| logSw: | -6.4774 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.93 |
| InChI Key: | PHMFJMUZBXXCIB-UHFFFAOYSA-N |