5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1463 |
| Compound Name: | 5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2cccnc2)c2cccc(c2OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9131 |
| logD: | 1.0933 |
| logSw: | -3.1054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.216 |
| InChI Key: | ASNUPZZREGCOPV-HXUWFJFHSA-N |