3-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)quinazoline-2,4(1H,3H)-dione
3-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y042-9055 |
| Compound Name: | 3-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | CCC(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.66 |
| logD: | 2.3835 |
| logSw: | -3.2727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.981 |
| InChI Key: | OLPHQYOVESXQTE-IBGZPJMESA-N |