2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4582-0205 |
| Compound Name: | 2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C29 H33 N3 O5 |
| Smiles: | C1CCC2C(C1)C(N(C(Cc1ccccc1)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1216 |
| logD: | 2.8453 |
| logSw: | -3.1755 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.913 |
| InChI Key: | XUMDLSPMECLYGW-UHFFFAOYSA-N |