5-(4-ethoxyphenyl)-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-ethoxyphenyl)-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0200 |
| Compound Name: | 5-(4-ethoxyphenyl)-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1844 |
| logD: | 2.3645 |
| logSw: | -4.2924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.856 |
| InChI Key: | UGSHBRKKSWDAGB-JOCHJYFZSA-N |