4-{3-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{3-[(4-ethoxyphenyl)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: | C202-3915 |
| Compound Name: | 4-{3-[(4-ethoxyphenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C28 H28 N4 O5 |
| Smiles: | CCOc1ccc(cc1)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5931 |
| logD: | 1.6216 |
| logSw: | -4.1463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.354 |
| InChI Key: | PJVGWAFOQAIKKL-DEOSSOPVSA-N |