3-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
3-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | K822-0217 |
| Compound Name: | 3-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C13 H14 N4 O2 S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8914 |
| logD: | -1.8043 |
| logSw: | -1.1625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.392 |
| InChI Key: | JCBJWPZAOCIKQR-UHFFFAOYSA-N |