4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3796 |
| Compound Name: | 4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C16 H18 N2 O3 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C=Nc2ccccc2C1=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4353 |
| logD: | -1.1251 |
| logSw: | -2.0664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.939 |
| InChI Key: | NBFRLAFUANZFTR-UHFFFAOYSA-N |