5,5-dimethyl-2-{[(4-oxoquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-{[(4-oxoquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
5,5-dimethyl-2-{[(4-oxoquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4533-0019 |
| Compound Name: | 5,5-dimethyl-2-{[(4-oxoquinazolin-3(4H)-yl)amino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CC1(C)CC(C(=CNN2C=Nc3ccccc3C2=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7777 |
| logD: | 0.3993 |
| logSw: | -2.1603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.108 |
| InChI Key: | HTLYYRFLLFFQPW-UHFFFAOYSA-N |