1-methyl-N-(2-phenylethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-(2-phenylethyl)-1H-benzotriazole-5-carboxamide
1-methyl-N-(2-phenylethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0111 |
| Compound Name: | 1-methyl-N-(2-phenylethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 280.33 |
| Molecular Formula: | C16 H16 N4 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5734 |
| logD: | 1.5734 |
| logSw: | -2.1734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.477 |
| InChI Key: | VQDDMBKHGQGFTJ-UHFFFAOYSA-N |