methyl 2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8789 |
| Compound Name: | methyl 2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C16 H16 N2 O6 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc([N+]([O-])=O)o1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.935 |
| logD: | -2.1132 |
| logSw: | -2.5322 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.756 |
| InChI Key: | WWTVPUGEDOBCAH-HNNXBMFYSA-N |