2-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
2-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2154-0408 |
| Compound Name: | 2-chloro-N-[2-(3,4-dimethylphenyl)-2H-benzotriazol-5-yl]-5-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1C)n1nc2ccc(cc2n1)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8693 |
| logD: | 5.1591 |
| logSw: | -6.0505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.745 |
| InChI Key: | CMOWGVOUSAQINK-UHFFFAOYSA-N |