(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3439 |
| Compound Name: | (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8064 |
| logD: | 0.7767 |
| logSw: | -4.9554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.704 |
| InChI Key: | IYQJBELCFMDHCG-DEOSSOPVSA-N |