2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C592-3885 |
| Compound Name: | 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C15 H14 N6 O S2 |
| Smiles: | C(C(N)=O)Sc1nnc(CSc2ncccn2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.9154 |
| logD: | 0.9154 |
| logSw: | -1.8527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.506 |
| InChI Key: | PGUREWWYVUYEFD-UHFFFAOYSA-N |