5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4832 |
| Compound Name: | 5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CCc1ccccc1n1c(Cc2ccc(c(c2)OCC)OCC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.7891 |
| logD: | 1.5819 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.554 |
| InChI Key: | AAXPVUZPTVKFEH-UHFFFAOYSA-N |