3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-methylphenyl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-methylphenyl)-1H-pyrrole-2,5-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-methylphenyl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | Y020-7732 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-methylphenyl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | Cc1cccc(c1)N1C(C=C(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4464 |
| logD: | 2.3971 |
| logSw: | -2.6903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.264 |
| InChI Key: | BOIGNQRWYHJEAV-UHFFFAOYSA-N |