methyl 9,9-dimethyl-6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Chemical Structure Depiction of
methyl 9,9-dimethyl-6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
methyl 9,9-dimethyl-6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Compound characteristics
| Compound ID: | 8019-0422 |
| Compound Name: | methyl 9,9-dimethyl-6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CC1(C)CC2=C(C(C(=C3C(NCCN23)=O)C(=O)OC)c2ccc(cc2)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0898 |
| logD: | 3.0898 |
| logSw: | -3.328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.323 |
| InChI Key: | MYKHFMBNRGHREZ-QGZVFWFLSA-N |