2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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-(2-fluorophenyl)acetamide
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F019-5687 |
| 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-(2-fluorophenyl)acetamide |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C21 H16 Cl F N4 O2 S |
| Smiles: | C=CCn1c(c2cc3cc(ccc3o2)[Cl])nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9906 |
| logD: | 4.9905 |
| logSw: | -5.1251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | LSQVSVPJWIFTCF-UHFFFAOYSA-N |