2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
Compound ID: | C117-0128 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
Molecular Weight: | 450.95 |
Molecular Formula: | C23 H19 Cl N4 O2 S |
Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2[Cl])c2cccnc2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1409 |
logD: | 1.8183 |
logSw: | -3.5992 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.868 |
InChI Key: | RPEYIQSDTWEGHX-GOSISDBHSA-N |