N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-1212 |
| Compound Name: | N-{1-[2-(benzylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C18 H17 N5 O2 |
| Smiles: | C(c1ccccc1)NC(Cn1cnc(NC(c2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9454 |
| logD: | 1.7808 |
| logSw: | -2.4612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.023 |
| InChI Key: | GVBBZKIKLBJEEQ-UHFFFAOYSA-N |