2-{[4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0013 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 358.38 |
| Molecular Formula: | C15 H14 N6 O3 S |
| Smiles: | COc1cccc(c1)C1=CC(NC(=N1)SCC(Nc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0311 |
| logD: | -0.4181 |
| logSw: | -2.3144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.06 |
| InChI Key: | LMFNEBLWNGUSND-UHFFFAOYSA-N |