2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-6053 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C25 H22 F N3 O4 S |
| Smiles: | COc1cc(ccc1O)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0864 |
| logD: | 1.6484 |
| logSw: | -3.51 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.529 |
| InChI Key: | RGLRJDQMSUJQLQ-HXUWFJFHSA-N |