N-benzyl-2-{[5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C202-0194 |
| Compound Name: | N-benzyl-2-{[5-(4-methylphenyl)-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCC(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0644 |
| logD: | 1.6265 |
| logSw: | -3.5293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.822 |
| InChI Key: | RZMQWMDDKZNJLT-JOCHJYFZSA-N |