N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D524-1311 |
| Compound Name: | N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C19 H19 N5 O2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ncn(CC(NCc2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4738 |
| logD: | 2.275 |
| logSw: | -2.7814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.023 |
| InChI Key: | LYNGLEXHWOSXTE-UHFFFAOYSA-N |