3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6860 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C16 H23 N5 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0739 |
| logD: | 2.0586 |
| logSw: | -2.5973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.782 |
| InChI Key: | LYECMTLCPSIPOQ-UHFFFAOYSA-N |