2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-6029 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C26 H24 Cl N3 O4 S |
| Smiles: | COc1ccc(c(c1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5698 |
| logD: | 3.1318 |
| logSw: | -4.6642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.525 |
| InChI Key: | GAUUCAOCMOUXDF-OAQYLSRUSA-N |