2-methylpropyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0084 |
| Compound Name: | 2-methylpropyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C28 H28 Cl N O5 |
| Smiles: | CC(C)COC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3227 |
| logD: | 1.8424 |
| logSw: | -6.4517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.894 |
| InChI Key: | SEHBNGRBHKPVRX-UHFFFAOYSA-N |