5,5-dimethyl-2-{[(4-oxo-2-phenylquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-{[(4-oxo-2-phenylquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
5,5-dimethyl-2-{[(4-oxo-2-phenylquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4533-0028 |
| Compound Name: | 5,5-dimethyl-2-{[(4-oxo-2-phenylquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C23 H21 N3 O3 |
| Smiles: | CC1(C)CC(C(=CNN2C(c3ccccc3)=Nc3ccccc3C2=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1793 |
| logD: | 1.8135 |
| logSw: | -2.9948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.659 |
| InChI Key: | UYKIEUPZEWHSMP-UHFFFAOYSA-N |