N-(4-phenylbutan-2-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-phenylbutan-2-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-phenylbutan-2-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-4029 |
| Compound Name: | N-(4-phenylbutan-2-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | CC(CCc1ccccc1)NC(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0425 |
| logD: | 4.0425 |
| logSw: | -3.9908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.054 |
| InChI Key: | XYIDVBIVYKDXJX-IBGZPJMESA-N |