2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0011 |
| Compound Name: | 2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 294.33 |
| Molecular Formula: | C11 H14 N6 O2 S |
| Smiles: | CCC1=C(C)N=C(NC1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.795 |
| logD: | -1.0184 |
| logSw: | -1.5825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.139 |
| InChI Key: | PCCJODOPQMMXFX-UHFFFAOYSA-N |