3-{2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
3-{2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
3-{2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | 8010-5911 |
| Compound Name: | 3-{2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C24 H16 N2 O5 |
| Smiles: | C1Oc2ccc(/C=C/C3=Nc4ccccc4C(N3c3cccc(c3)C(O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0292 |
| logD: | 1.3397 |
| logSw: | -4.2261 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.118 |
| InChI Key: | QVXQINYQLDGIJX-PKNBQFBNSA-N |