4-(2,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(2,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(2,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5236-0077 |
| Compound Name: | 4-(2,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)N1C(c2cc(c(c(c2)OC)OC)OC)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3143 |
| logD: | 3.751 |
| logSw: | -4.3691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.65 |
| InChI Key: | YMMUHWVZMKJZTG-UHFFFAOYSA-N |