2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3607-5701 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C24 H30 N2 O6 |
| Smiles: | CC(C)OCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6698 |
| logD: | -0.6173 |
| logSw: | -3.9548 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.552 |
| InChI Key: | ACAIXZHGKFATEX-NRFANRHFSA-N |