2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0541 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1CC=C)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.9631 |
| logD: | 4.963 |
| logSw: | -5.2694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | UDFBTSVPLVDBIR-UHFFFAOYSA-N |