2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8016-0941 |
| Compound Name: | 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide |
| Molecular Weight: | 302.36 |
| Molecular Formula: | C13 H14 N6 O S |
| Smiles: | Cc1nnc(n1N)SCC(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0494 |
| logD: | -0.0494 |
| logSw: | -2.1559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.829 |
| InChI Key: | CDYCNLXJGZDJKD-UHFFFAOYSA-N |