2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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-(1,3-thiazol-2-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J047-0533 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C18 H15 N5 O2 S2 |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8428 |
| logD: | 3.8423 |
| logSw: | -3.8682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.14 |
| InChI Key: | YMDBMIXGZONXQA-UHFFFAOYSA-N |