4-cyano-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-fluorobenzamide
Chemical Structure Depiction of
4-cyano-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-fluorobenzamide
4-cyano-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 8290-04074 |
| Compound Name: | 4-cyano-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-fluorobenzamide |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C22 H16 F N5 O2 |
| Smiles: | CCOc1ccc(cc1)n1nc2ccc(cc2n1)NC(c1ccc(C#N)cc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6892 |
| logD: | 4.3447 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.544 |
| InChI Key: | CGXOQKAXPUBYIZ-UHFFFAOYSA-N |