methyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0377 |
| Compound Name: | methyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C20 H22 N2 O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2418 |
| logD: | -1.0454 |
| logSw: | -3.409 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.724 |
| InChI Key: | MKOCHHZBQPEFGS-KRWDZBQOSA-N |