5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 4038-0252 |
| Compound Name: | 5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 277.34 |
| Molecular Formula: | C13 H15 N3 O2 S |
| Smiles: | COc1cc(cc(c1)OC)C1=NNC(N1CC=C)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0152 |
| logD: | 2.8321 |
| logSw: | -3.2902 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.922 |
| InChI Key: | GQNBPSAIMKYLNC-UHFFFAOYSA-N |