methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 0DOU-0240 |
| Compound Name: | methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C20 H22 N2 O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2487 |
| logD: | -1.0385 |
| logSw: | -3.4901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.477 |
| InChI Key: | PICCUHFXOBODDU-KRWDZBQOSA-N |