ethyl 4-{[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-6865 |
| Compound Name: | ethyl 4-{[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C17 H24 N6 O4 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1158 |
| logD: | 1.1004 |
| logSw: | -2.1875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.231 |
| InChI Key: | WINMWQDTLZVKLQ-UHFFFAOYSA-N |