2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0087 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7181 |
| logD: | 4.7181 |
| logSw: | -5.1135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | JFPCZVUWRWOCPZ-UHFFFAOYSA-N |