2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,4-trimethylpentan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,4-trimethylpentan-2-yl)acetamide
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,4-trimethylpentan-2-yl)acetamide
Compound characteristics
| Compound ID: | 8012-3417 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,4-trimethylpentan-2-yl)acetamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CC(C)(C)CC(C)(C)NC(CSc1nnc(c2ccco2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5085 |
| logD: | 4.5085 |
| logSw: | -4.2758 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.325 |
| InChI Key: | NWBZLYGENBXFBS-UHFFFAOYSA-N |