butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0424 |
| Compound Name: | butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C23 H28 N2 O6 |
| Smiles: | CCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)[N+]([O-])=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.667 |
| logD: | 0.3799 |
| logSw: | -4.3822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.598 |
| InChI Key: | UNKJTUZXWYWENM-FQEVSTJZSA-N |