6-(3-bromo-4,5-dimethoxyphenyl)-5-nitropiperidin-2-one
Chemical Structure Depiction of
6-(3-bromo-4,5-dimethoxyphenyl)-5-nitropiperidin-2-one
6-(3-bromo-4,5-dimethoxyphenyl)-5-nitropiperidin-2-one
Compound characteristics
| Compound ID: | 8013-0198 |
| Compound Name: | 6-(3-bromo-4,5-dimethoxyphenyl)-5-nitropiperidin-2-one |
| Molecular Weight: | 359.17 |
| Molecular Formula: | C13 H15 Br N2 O5 |
| Smiles: | COc1cc(cc(c1OC)[Br])C1C(CCC(N1)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5103 |
| logD: | 0.5813 |
| logSw: | -2.2165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.607 |
| InChI Key: | UXKRIFRARWHSDM-UHFFFAOYSA-N |