2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)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-(4-bromo-2-fluorophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J047-0540 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C21 H16 Br F N4 O2 S |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3575 |
| logD: | 5.3492 |
| logSw: | -6.4702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | GDBXRSYVXUIYLH-UHFFFAOYSA-N |