2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0611 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cc3ccccc3o2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4399 |
| logD: | 5.4399 |
| logSw: | -6.1558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.398 |
| InChI Key: | OMLDMMYUFWSIEK-UHFFFAOYSA-N |