benzyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1180 |
| Compound Name: | benzyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C28 H29 N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)C(=O)OC)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9891 |
| logD: | 0.9595 |
| logSw: | -5.0512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.953 |
| InChI Key: | SOFQBYPDYXQNJD-DEOSSOPVSA-N |