1-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1502 |
| Compound Name: | 1-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 359.44 |
| Molecular Formula: | C17 H14 F N3 O S2 |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9179 |
| logD: | 3.9179 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.484 |
| InChI Key: | BBPSJWADADAISZ-UHFFFAOYSA-N |