2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0227 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C25 H23 F N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2F)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3743 |
| logD: | 1.6727 |
| logSw: | -3.3923 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.868 |
| InChI Key: | MFVWHISGXLAMED-LJQANCHMSA-N |