5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1000 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2cccc(c2)[N+]([O-])=O)c2ccc(c(c2)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6843 |
| logD: | 1.8645 |
| logSw: | -4.0949 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.993 |
| InChI Key: | PHLDVGHSEGDDID-JOCHJYFZSA-N |