2-phenoxyethyl 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
2-phenoxyethyl 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
2-phenoxyethyl 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: | 2827-4600 |
| Compound Name: | 2-phenoxyethyl 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: | 603.03 |
| Molecular Formula: | C32 H27 Cl N2 O8 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OCCOc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4665 |
| logD: | 1.9863 |
| logSw: | -6.3583 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.04 |
| InChI Key: | HMSLXYWQUMROCC-UHFFFAOYSA-N |