2-(2-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3334-3880 |
| Compound Name: | 2-(2-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C28 H25 N3 O5 |
| Smiles: | C1CN(CCN1CCN1C(c2cccc3cccc(C1=O)c23)=O)C(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4567 |
| logD: | 3.4566 |
| logSw: | -4.1033 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.859 |
| InChI Key: | YAJFIOCLDZNLKA-UHFFFAOYSA-N |