2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C202-0289 |
| Compound Name: | 2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCC(NCc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4206 |
| logD: | 1.6007 |
| logSw: | -3.672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.571 |
| InChI Key: | MVMRIJLJRFXCCZ-OAQYLSRUSA-N |