4-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
4-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1211 |
| Compound Name: | 4-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1C)n1nc2ccc(cc2n1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6122 |
| logD: | 4.9021 |
| logSw: | -6.0568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.444 |
| InChI Key: | WTJCWZGPMCGESC-UHFFFAOYSA-N |