N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-2260 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C17 H14 F2 N4 O S2 |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6775 |
| logD: | 3.6692 |
| logSw: | -4.0064 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.689 |
| InChI Key: | HRRNYVXEHCWTLO-UHFFFAOYSA-N |