methyl {[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5700 |
| Compound Name: | methyl {[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C13 H14 N4 O2 S |
| Smiles: | COC(CSc1nnc(c2cccnc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1806 |
| logD: | 1.1682 |
| logSw: | -1.3 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.587 |
| InChI Key: | JCJKZDJUDZEKKM-UHFFFAOYSA-N |