N-(3,4-dimethylphenyl)-6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
N-(3,4-dimethylphenyl)-6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C202-3549 |
| Compound Name: | N-(3,4-dimethylphenyl)-6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0826 |
| logD: | 5.8346 |
| logSw: | -5.3644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.822 |
| InChI Key: | QXECTQFZJOIJGJ-VWLOTQADSA-N |