4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-0475 |
| Compound Name: | 4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCCCc1ccc(cc1)n1c(c2cc(c(c(c2)OC)OC)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.768 |
| logD: | 3.2255 |
| logSw: | -4.5978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.436 |
| InChI Key: | BCLZNZHBGMNTSH-UHFFFAOYSA-N |