2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F019-5683 |
| Compound Name: | 2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide |
| Molecular Weight: | 456.92 |
| Molecular Formula: | C22 H18 Cl F N4 O2 S |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc(c2cc3cc(ccc3o2)[Cl])n1CC=C)=O)F |
| Stereo: | ACHIRAL |
| logP: | 5.1328 |
| logD: | 5.1326 |
| logSw: | -5.4695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | XNORHJFGKMZIEZ-UHFFFAOYSA-N |