N-benzyl-2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | V009-9449 |
| Compound Name: | N-benzyl-2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(Cc2ccccc2)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5694 |
| logD: | 4.5694 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.16 |
| InChI Key: | QWVWJWRTHXHNER-UHFFFAOYSA-N |