N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3205-1091 |
| Compound Name: | N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | CCOc1ccc(cc1)n1nc2ccc(cc2n1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0124 |
| logD: | 4.8088 |
| logSw: | -4.6625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.568 |
| InChI Key: | YQZHYUJVFHKDPA-UHFFFAOYSA-N |