5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxypyrimidin-4(3H)-one
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxypyrimidin-4(3H)-one
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxypyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D668-0125 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxypyrimidin-4(3H)-one |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C16 H18 N4 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(C1=CN=C(NC1=O)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.647 |
| logD: | -7.5077 |
| logSw: | -2.2514 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.723 |
| InChI Key: | JRABDRITCSEBAP-UHFFFAOYSA-N |