2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3889 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 392.89 |
| Molecular Formula: | C15 H13 Cl N6 O S2 |
| Smiles: | C(C(N)=O)Sc1nnc(CSc2ncccn2)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6317 |
| logD: | 1.6317 |
| logSw: | -2.488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.506 |
| InChI Key: | CKPYFRJJHOFZAV-UHFFFAOYSA-N |