3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-0067 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 364.29 |
| Molecular Formula: | C17 H15 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C)nnc1SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0723 |
| logD: | 5.0723 |
| logSw: | -5.3771 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7611 |
| InChI Key: | RQJCCZSMNXCLGI-UHFFFAOYSA-N |