3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)quinazoline-2,4(1H,3H)-dione
3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K221-2476 |
| Compound Name: | 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | C(CCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)CCN1C(c2ccccc2NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8854 |
| logD: | 2.5412 |
| logSw: | -3.4612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.507 |
| InChI Key: | XDHHRRFTXFMYLX-UHFFFAOYSA-N |