2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 6186-3358 |
| Compound Name: | 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C22 H27 N3 O5 |
| Smiles: | C1CCC2C(C1)C(N(CC(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0065 |
| logD: | 0.8149 |
| logSw: | -2.2858 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.732 |
| InChI Key: | NZBVTTOSPFJGQK-UHFFFAOYSA-N |