N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0406 |
| Compound Name: | N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C18 H16 F N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5897 |
| logD: | 2.5771 |
| logSw: | -2.7075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.886 |
| InChI Key: | CXJWPEODCRVPOW-UHFFFAOYSA-N |