4-{6,6-dimethyl-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-{6,6-dimethyl-3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{6,6-dimethyl-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: | F453-0059 |
| Compound Name: | 4-{6,6-dimethyl-3-[(3-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | Cc1cccc(c1)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5841 |
| logD: | 1.6126 |
| logSw: | -4.2266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.23 |
| InChI Key: | SYNBZUHAZQCFCF-QHCPKHFHSA-N |