2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3,5-dimethoxyphenyl)-8,8-dimethyl-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-3,5-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3,5-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-5872 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxy-3,5-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C28 H28 F N3 O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2F)c2cc(c(c(c2)OC)O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5563 |
| logD: | 1.7365 |
| logSw: | -3.8292 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.09 |
| InChI Key: | YEBJOIBAVCAUHG-OAQYLSRUSA-N |