6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-N-phenyl-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-N-phenyl-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-N-phenyl-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F453-0083 |
| Compound Name: | 6,6-dimethyl-9-[4-(methylsulfanyl)phenyl]-8-oxo-N-phenyl-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)SC)n3c(c(cn3)C(Nc3ccccc3)=O)N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9035 |
| logD: | 4.6555 |
| logSw: | -4.4895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.822 |
| InChI Key: | MGZTZLYUPIDHGV-QHCPKHFHSA-N |