2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0169 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cc3ccccc3o2)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8906 |
| logD: | 4.8906 |
| logSw: | -5.2568 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.764 |
| InChI Key: | ZMAYDNGVCCHVON-UHFFFAOYSA-N |