N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-1-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}piperazin-2-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-1-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}piperazin-2-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-1-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}piperazin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-8244 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-1-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}piperazin-2-yl)acetamide |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C23 H27 N7 O5 |
| Smiles: | C(C1C(NCCN1C(CN1CCN(CC1)c1ncccn1)=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1862 |
| logD: | 0.1851 |
| logSw: | -2.0005 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.53 |
| InChI Key: | CAPCEXHEZNGBHP-KRWDZBQOSA-N |