N-(2-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-7245 |
| Compound Name: | N-(2-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C17 H15 F N4 O S2 |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5417 |
| logD: | 3.5416 |
| logSw: | -3.6624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.689 |
| InChI Key: | PASYHNNQODECSW-UHFFFAOYSA-N |