4-{3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Compound characteristics
| Compound ID: | F453-0181 |
| Compound Name: | 4-{3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | Cc1cccc(c1)NC(c1cnn2C(C3=C(CCCC3=O)Nc12)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9785 |
| logD: | 1.0071 |
| logSw: | -4.0721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.23 |
| InChI Key: | JWBUTMYMYVNTOQ-QFIPXVFZSA-N |