methyl 7-(2-chlorophenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-(2-chlorophenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 7-(2-chlorophenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8014-0991 |
| Compound Name: | methyl 7-(2-chlorophenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 489.96 |
| Molecular Formula: | C28 H24 Cl N O5 |
| Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2ccccc2[Cl])N1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2047 |
| logD: | 0.5354 |
| logSw: | -5.5185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.717 |
| InChI Key: | GRNOOQWONBBKLI-UHFFFAOYSA-N |