benzyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0216 |
| Compound Name: | benzyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 475.93 |
| Molecular Formula: | C27 H22 Cl N O5 |
| Smiles: | CC1=C(C(C2=COc3ccc(cc3C2=O)[Cl])C2=C(CCCC2=O)N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7195 |
| logD: | 0.8922 |
| logSw: | -4.9042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.672 |
| InChI Key: | FHJGOSHIILEXPP-DEOSSOPVSA-N |