N-{1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
N-{1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D524-1324 |
| Compound Name: | N-{1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 363.42 |
| Molecular Formula: | C20 H21 N5 O2 |
| Smiles: | CCc1ccccc1NC(Cn1cnc(NC(c2ccc(C)cc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3956 |
| logD: | 3.1968 |
| logSw: | -3.4278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.003 |
| InChI Key: | GQSGUPWZSFAEOH-UHFFFAOYSA-N |