3-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
3-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
3-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V006-6766 |
| Compound Name: | 3-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C18 H18 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(C)nnc1SCc1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2544 |
| logD: | 2.2543 |
| logSw: | -2.5077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.519 |
| InChI Key: | MIHZYJWKLQXLGQ-UHFFFAOYSA-N |