4-{6,6-dimethyl-3-[(2-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-[(2-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{6,6-dimethyl-3-[(2-methylphenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Compound characteristics
| Compound ID: | C202-3916 |
| Compound Name: | 4-{6,6-dimethyl-3-[(2-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: | Cc1ccccc1NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2172 |
| logD: | 1.2457 |
| logSw: | -4.2156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.532 |
| InChI Key: | BXIMKTOXDQQXDV-QHCPKHFHSA-N |