N-(4-cyanophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
N-(4-cyanophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | P769-0076 |
| Compound Name: | N-(4-cyanophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C18 H18 N6 O |
| Smiles: | CN(C)CCn1c2ccc(cc2nn1)C(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6577 |
| logD: | 1.2563 |
| logSw: | -2.3519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.928 |
| InChI Key: | KNPUSZQCIMCYMG-UHFFFAOYSA-N |