6-(2-bromo-3,4,5-trimethoxyphenyl)-5-nitropiperidin-2-one
Chemical Structure Depiction of
6-(2-bromo-3,4,5-trimethoxyphenyl)-5-nitropiperidin-2-one
6-(2-bromo-3,4,5-trimethoxyphenyl)-5-nitropiperidin-2-one
Compound characteristics
| Compound ID: | K813-0071 |
| Compound Name: | 6-(2-bromo-3,4,5-trimethoxyphenyl)-5-nitropiperidin-2-one |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C14 H17 Br N2 O6 |
| Smiles: | COc1cc(C2C(CCC(N2)=O)[N+]([O-])=O)c(c(c1OC)OC)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.343 |
| logD: | 0.4139 |
| logSw: | -2.1558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.324 |
| InChI Key: | XUYCOOVBDZXMHA-UHFFFAOYSA-N |