N-(4-cyanophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
N-(4-cyanophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0128 |
| Compound Name: | N-(4-cyanophenyl)-1-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C15 H11 N5 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6284 |
| logD: | 1.6146 |
| logSw: | -2.2444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.369 |
| InChI Key: | ZHHLWJQAFNKJNG-UHFFFAOYSA-N |