5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(pyridin-2-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(pyridin-2-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(pyridin-2-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
Compound ID: | C202-1462 |
Compound Name: | 5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(pyridin-2-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
Molecular Weight: | 474.58 |
Molecular Formula: | C26 H26 N4 O3 S |
Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccn2)c2ccccc2OC)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.301 |
logD: | 1.4812 |
logSw: | -3.7343 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.524 |
InChI Key: | ZUDCURMRCCNUPV-HXUWFJFHSA-N |