2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(dimethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(dimethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(dimethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0122 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(dimethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Smiles: | CN(C)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3105 |
| logD: | 2.8726 |
| logSw: | -4.6693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.155 |
| InChI Key: | BIJVBLSBQUIUGW-OAQYLSRUSA-N |