5-[(3,4-diethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,4-diethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3,4-diethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5689 |
| Compound Name: | 5-[(3,4-diethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CCOc1ccc(Cc2nnc(n2c2cccc(C)c2C)S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9281 |
| logD: | 1.7209 |
| logSw: | -4.043 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.554 |
| InChI Key: | UOIOCKKCEYTRKV-UHFFFAOYSA-N |