propyl 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
propyl 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
propyl 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: | 2984-4735 |
| Compound Name: | propyl 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: | 524.96 |
| Molecular Formula: | C27 H25 Cl N2 O7 |
| Smiles: | CCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9895 |
| logD: | 1.5092 |
| logSw: | -6.3609 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.894 |
| InChI Key: | LFXSNJLWQWCDRC-UHFFFAOYSA-N |