2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(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-(3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0097 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C25 H22 F N3 O3 S |
| Smiles: | COc1cccc(c1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8608 |
| logD: | 2.4229 |
| logSw: | -4.0672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.894 |
| InChI Key: | JGFQWMYAPQVGTN-HXUWFJFHSA-N |