3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-0109 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 323.46 |
| Molecular Formula: | C19 H21 N3 S |
| Smiles: | Cc1ccc(C)c(CSc2nnc(C)n2c2ccccc2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8273 |
| logD: | 4.8266 |
| logSw: | -4.624 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.4601 |
| InChI Key: | SHFHMIUGDBUSEM-UHFFFAOYSA-N |