methyl 2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0300 |
| Compound Name: | methyl 2,7,7-trimethyl-4-(2-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)c1ccccc1[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2822 |
| logD: | -1.0049 |
| logSw: | -3.7028 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.176 |
| InChI Key: | CGNRGBIADYYMNW-KRWDZBQOSA-N |