4-{3-[(3,4-dimethylphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(3,4-dimethylphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{3-[(3,4-dimethylphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Compound characteristics
| Compound ID: | F453-0339 |
| Compound Name: | 4-{3-[(3,4-dimethylphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C28 H28 N4 O4 |
| Smiles: | Cc1ccc(cc1C)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2116 |
| logD: | 2.2401 |
| logSw: | -4.7001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.23 |
| InChI Key: | PRBDJEVDFOQSFX-DEOSSOPVSA-N |