3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6764 |
| Compound Name: | 3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1944 |
| logD: | 2.1875 |
| logSw: | -2.6452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.227 |
| InChI Key: | QWEUNQRRRYBAMO-UHFFFAOYSA-N |