N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0161 |
| Compound Name: | N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C21 H16 Cl N5 O4 |
| Smiles: | Cc1cc2c(cc1NC(c1ccccc1[N+]([O-])=O)=O)nn(c1ccc(c(c1)[Cl])OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.2105 |
| logD: | 2.9586 |
| logSw: | -4.5366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.377 |
| InChI Key: | WUWDHWYKUTXVTN-UHFFFAOYSA-N |