3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-0524 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C24 H23 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccccc3C)n2c2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.579 |
| logD: | 6.5789 |
| logSw: | -5.9821 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | TXKYUNUBRNNWPO-UHFFFAOYSA-N |