2-{[(2-chlorophenyl)methyl]sulfanyl}-5-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-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
Compound ID: | C117-0111 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
Molecular Weight: | 449.96 |
Molecular Formula: | C24 H20 Cl N3 O2 S |
Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2[Cl])c2ccccc2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2248 |
logD: | 2.7869 |
logSw: | -4.5894 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.35 |
InChI Key: | ZZLWRRCVJBKGIH-LJQANCHMSA-N |