2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D692-0566 |
| Compound Name: | 2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | C1CCN(CC1)C(CSc1nnc2c3ccccc3nc(c3ccco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0726 |
| logD: | 3.0725 |
| logSw: | -3.065 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.281 |
| InChI Key: | YAHLFVJVHQMGIW-UHFFFAOYSA-N |