6,6-dimethyl-N-(4-methylphenyl)-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
6,6-dimethyl-N-(4-methylphenyl)-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
6,6-dimethyl-N-(4-methylphenyl)-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F453-0085 |
| Compound Name: | 6,6-dimethyl-N-(4-methylphenyl)-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5186 |
| logD: | 5.2706 |
| logSw: | -5.2861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.822 |
| InChI Key: | CMFHTECEUCLNQZ-DEOSSOPVSA-N |