N-(2-methylphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methylphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-methylphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y500-4846 |
| Compound Name: | N-(2-methylphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C27 H22 N4 O S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(c2cccc3ccccc23)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2185 |
| logD: | 5.2185 |
| logSw: | -5.8796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.893 |
| InChI Key: | QSJJKHYQLFHQHO-UHFFFAOYSA-N |