2-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
2-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
2-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | J047-0512 |
| Compound Name: | 2-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccccc1C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0526 |
| logD: | 3.0525 |
| logSw: | -3.5199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.769 |
| InChI Key: | CRGFYKNFDBAWPS-UHFFFAOYSA-N |