{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8010-6330 |
| Compound Name: | {[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C12 H13 N3 O3 S |
| Smiles: | Cn1c(c2ccc(cc2)OC)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2867 |
| logD: | -2.0058 |
| logSw: | -1.9058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.25 |
| InChI Key: | TWHALQNZWANDLP-UHFFFAOYSA-N |