N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetamide
Compound characteristics
| Compound ID: | H024-0097 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetamide |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | COc1ccc(CCNC(Cc2nnc(c3ccncc3)[nH]2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.2836 |
| logD: | 0.2508 |
| logSw: | -1.1249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.744 |
| InChI Key: | DBVLCLFQIVTDGJ-UHFFFAOYSA-N |