N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-2,4-dinitrobenzamide
N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2081-0802 |
| Compound Name: | N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-2,4-dinitrobenzamide |
| Molecular Weight: | 438.78 |
| Molecular Formula: | C19 H11 Cl N6 O5 |
| Smiles: | c1cc(cc(c1)[Cl])n1nc2ccc(cc2n1)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6975 |
| logD: | 3.5088 |
| logSw: | -5.0055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.826 |
| InChI Key: | PZXAGTUTLQRTEZ-UHFFFAOYSA-N |