2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-3256 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccco2)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6893 |
| logD: | 3.689 |
| logSw: | -3.9101 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.382 |
| InChI Key: | QKKIODVONXPEQA-UHFFFAOYSA-N |