6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0367 |
| Compound Name: | 6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C27 H29 N O7 |
| Smiles: | CC1CC2=C(C(C3=COc4ccc(C)cc4C3=O)C(=C(C)N2)C(=O)OC(C)C)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9144 |
| logD: | -0.1086 |
| logSw: | -4.0019 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.32 |
| InChI Key: | AFCKCJOWUTULEM-UHFFFAOYSA-N |