5-(2,5-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2,5-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2,5-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-6028 |
| Compound Name: | 5-(2,5-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H24 F N3 O4 S |
| Smiles: | COc1ccc(c(c1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1976 |
| logD: | 2.7597 |
| logSw: | -4.3509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.525 |
| InChI Key: | OINMMDQRAFGKIJ-OAQYLSRUSA-N |