5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-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}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0104 |
| Compound Name: | 5-[4-(diethylamino)phenyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H29 F N4 O2 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6589 |
| logD: | 3.221 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | UESDYIBDTQYSNL-HSZRJFAPSA-N |