3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-5962 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4266 |
| logD: | 6.4266 |
| logSw: | -5.7359 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.8 |
| InChI Key: | ULDRHQIVNZFHOH-UHFFFAOYSA-N |