3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6864 |
| Compound Name: | 3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5489 |
| logD: | 3.5335 |
| logSw: | -3.7688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.179 |
| InChI Key: | BAXZEILBWMDMIP-UHFFFAOYSA-N |