{[4-(2-methylprop-2-en-1-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(2-methylprop-2-en-1-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-(2-methylprop-2-en-1-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 2219-0066 |
| Compound Name: | {[4-(2-methylprop-2-en-1-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C14 H15 N3 O2 S |
| Smiles: | CC(=C)Cn1c(c2ccccc2)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6041 |
| logD: | -0.6885 |
| logSw: | -2.6676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.896 |
| InChI Key: | BLIXVEGJBBELRE-UHFFFAOYSA-N |