N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8006-4807 |
| Compound Name: | N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9698 |
| logD: | 3.9698 |
| logSw: | -4.16 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.445 |
| InChI Key: | UFJQLUDOUYHOKV-UHFFFAOYSA-N |