N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | 3553-1965 |
| Compound Name: | N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | Cc1cc2c(cc1NC(c1ccccc1[N+]([O-])=O)=O)nn(c1ccc(cc1)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.8484 |
| logD: | 2.5965 |
| logSw: | -4.1105 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.29 |
| InChI Key: | JIRKTXRPWUCSBB-UHFFFAOYSA-N |