2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxyphenyl)-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-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0102 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C24 H20 F N3 O3 S |
| Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2F)c2ccc(cc2)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2286 |
| logD: | 1.7907 |
| logSw: | -3.5196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.967 |
| InChI Key: | TTYPMGGBVLMUOY-LJQANCHMSA-N |