2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0124 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | Cc1ccc(cc1F)NC(CSc1nnc(c2cc3ccccc3o2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3267 |
| logD: | 5.3265 |
| logSw: | -5.9674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.661 |
| InChI Key: | TWLQYOWKTBRXTQ-UHFFFAOYSA-N |