ethyl 2,7,7-trimethyl-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
ethyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2,7,7-trimethyl-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: | 2984-4831 |
| Compound Name: | ethyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C25 H27 N O5 |
| Smiles: | CCOC(C1C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(C)(C)CC2=O)NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9769 |
| logD: | -0.4993 |
| logSw: | -4.1088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.568 |
| InChI Key: | LEFVGJXKXLHEQE-NRFANRHFSA-N |