butan-2-yl 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
butan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 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: | 2406-3743 |
| Compound Name: | butan-2-yl 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: | CCC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7768 |
| logD: | 2.2965 |
| logSw: | -6.4941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.081 |
| InChI Key: | ZKWBSCFWIXQZRI-UHFFFAOYSA-N |