{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | F235-1935 |
| Compound Name: | {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C14 H15 N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.113 |
| logD: | -1.1795 |
| logSw: | -2.4669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.418 |
| InChI Key: | PWGUDLWXVDLHOV-UHFFFAOYSA-N |