2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0085 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 550.59 |
| Molecular Formula: | C27 H26 N4 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0088 |
| logD: | 1.5709 |
| logSw: | -3.5993 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.71 |
| InChI Key: | LFYIXLNKHKAQDA-OAQYLSRUSA-N |