2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
Compound ID: | C117-0098 |
Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
Molecular Weight: | 447.53 |
Molecular Formula: | C25 H22 F N3 O2 S |
Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2718 |
logD: | 2.8338 |
logSw: | -4.3176 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.35 |
InChI Key: | HAQHFPKDKNJNHC-HXUWFJFHSA-N |