8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0756 |
| Compound Name: | 8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4529 |
| logD: | 2.633 |
| logSw: | -4.4866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.732 |
| InChI Key: | SIDDUDNDRAEIJT-OAQYLSRUSA-N |