benzyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0188 |
| Compound Name: | benzyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C27 H23 N O5 |
| Smiles: | CC1=C(C(C2=COc3ccccc3C2=O)C2=C(CCCC2=O)N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.037 |
| logD: | 0.2096 |
| logSw: | -4.5455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.672 |
| InChI Key: | PBMIJXGCIDSUHA-DEOSSOPVSA-N |