3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-1934 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2c2ccccc2C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.6936 |
| logD: | 6.6936 |
| logSw: | -5.733 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.499 |
| InChI Key: | MCMHYHKYBGWEBA-UHFFFAOYSA-N |