5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-5777 |
| Compound Name: | 5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C30 H33 F N4 O2 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2644 |
| logD: | 3.4446 |
| logSw: | -5.1439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | QJFLMCNYTQPTJC-XMMPIXPASA-N |