3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K221-3425 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C28 H26 N4 O6 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6024 |
| logD: | 3.6023 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.048 |
| InChI Key: | JEIQKLRFIIRZAX-UHFFFAOYSA-N |