3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-6140 |
| Compound Name: | 3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 399.56 |
| Molecular Formula: | C25 H25 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2c2ccccc2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6091 |
| logD: | 6.609 |
| logSw: | -5.8764 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.3877 |
| InChI Key: | KHLOUCFYOODABD-UHFFFAOYSA-N |