2-phenylethyl 4-(6-bromo-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-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(6-bromo-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: | 2576-4115 |
| Compound Name: | 2-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 620.93 |
| Molecular Formula: | C32 H27 Br Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc2c(cc1[Br])OCO2)C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6743 |
| logD: | 3.3572 |
| logSw: | -6.4866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.541 |
| InChI Key: | IAYZBLMTKCUMHZ-UHFFFAOYSA-N |