N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-4-methyl-3,5-dinitrobenzamide
N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2081-0814 |
| Compound Name: | N-[2-(3-chlorophenyl)-2H-benzotriazol-5-yl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 452.81 |
| Molecular Formula: | C20 H13 Cl N6 O5 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nn(c1cccc(c1)[Cl])n2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7802 |
| logD: | 3.8155 |
| logSw: | -4.9115 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.525 |
| InChI Key: | HFNYIIPGORRKPD-UHFFFAOYSA-N |