2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0005 |
| Compound Name: | 2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 280.31 |
| Molecular Formula: | C10 H12 N6 O2 S |
| Smiles: | CCC1=CC(NC(=N1)SCC(Nc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.9491 |
| logD: | -1.6544 |
| logSw: | -1.5739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.894 |
| InChI Key: | UGIGTAYVBGFTMK-UHFFFAOYSA-N |