3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-methyl[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-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6658 |
| Compound Name: | 3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5044 |
| logD: | 2.4883 |
| logSw: | -2.6933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.818 |
| InChI Key: | QJSTYYMDPQWPAT-UHFFFAOYSA-N |