1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | C734-0422 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C24 H24 N4 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Cn1c2c(COc3ccccc23)cn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8811 |
| logD: | 1.6895 |
| logSw: | -2.6086 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.955 |
| InChI Key: | JEKXJNHMXUCZOZ-UHFFFAOYSA-N |