2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-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-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | J047-0118 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H18 N6 O3 S |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc2c(c1)NC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.835 |
| logD: | 3.835 |
| logSw: | -4.0844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.388 |
| InChI Key: | VDBOUHFWGDKDMM-UHFFFAOYSA-N |