5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D668-0323 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C17 H20 N4 O6 S |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0081 |
| logD: | -2.7754 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.14 |
| InChI Key: | POVSXAAVUPZGFH-UHFFFAOYSA-N |