2-methylpropyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2576-4097 |
| Compound Name: | 2-methylpropyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-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)c2ccccc2)NC=1C)c1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3618 |
| logD: | 2.0447 |
| logSw: | -6.2373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.894 |
| InChI Key: | ROJJNUYQKWGMMC-UHFFFAOYSA-N |