4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5236-0079 |
| Compound Name: | 4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C1=NNC(N1CCc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7045 |
| logD: | 4.3945 |
| logSw: | -4.3236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.281 |
| InChI Key: | KWCBZALJGIRASY-UHFFFAOYSA-N |