4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 6161-0019 |
| Compound Name: | 4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 307.37 |
| Molecular Formula: | C14 H17 N3 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NNC(N1CC=C)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5305 |
| logD: | 2.3502 |
| logSw: | -2.7216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.813 |
| InChI Key: | WYCLSGGCWPZUKL-UHFFFAOYSA-N |