5-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | Y510-4975 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NNC(N1CCc1ccc(c(c1)OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4253 |
| logD: | 4.7071 |
| logSw: | -5.4621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.824 |
| InChI Key: | FTCOSRKREYHPJZ-UHFFFAOYSA-N |