{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 2209-0288 |
| Compound Name: | {[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C13 H13 N3 O2 S |
| Smiles: | C=CCn1c(c2ccccc2)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0256 |
| logD: | -1.2669 |
| logSw: | -2.1633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.875 |
| InChI Key: | GZZCGBONHJILEF-UHFFFAOYSA-N |