1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1-methyl-1H-pyrrol-2-yl)ethane-1,2-dione
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1-methyl-1H-pyrrol-2-yl)ethane-1,2-dione
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1-methyl-1H-pyrrol-2-yl)ethane-1,2-dione
Compound characteristics
| Compound ID: | L793-0551 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1-methyl-1H-pyrrol-2-yl)ethane-1,2-dione |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | Cn1cccc1C(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1357 |
| logD: | 1.993 |
| logSw: | -2.7459 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.698 |
| InChI Key: | VTKRXZATEAQZED-UHFFFAOYSA-N |