2-bromo-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-bromo-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
2-bromo-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2072-0813 |
| Compound Name: | 2-bromo-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide |
| Molecular Weight: | 468.26 |
| Molecular Formula: | C20 H14 Br N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc2ccc(cc2n1)NC(c1cc(ccc1[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.702 |
| logD: | 3.9919 |
| logSw: | -4.5771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.289 |
| InChI Key: | FCAPABFOKQGYRK-UHFFFAOYSA-N |