N-(4-acetylphenyl)-2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0266 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C24 H21 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.055 |
| logD: | 3.0253 |
| logSw: | -3.1332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.463 |
| InChI Key: | LYNOIZAAFPMWQT-UHFFFAOYSA-N |