4-[(4-oxoquinazolin-3(4H)-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-oxoquinazolin-3(4H)-yl)methyl]benzoic acid
4-[(4-oxoquinazolin-3(4H)-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y043-7054 |
| Compound Name: | 4-[(4-oxoquinazolin-3(4H)-yl)methyl]benzoic acid |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C16 H12 N2 O3 |
| Smiles: | C(c1ccc(cc1)C(O)=O)N1C=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.816 |
| logD: | -1.1555 |
| logSw: | -2.4833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.747 |
| InChI Key: | CAHCCLBAWHKXPZ-UHFFFAOYSA-N |