2-{4-[4-(benzyloxy)-3-methoxyphenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{4-[4-(benzyloxy)-3-methoxyphenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{4-[4-(benzyloxy)-3-methoxyphenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0907 |
| Compound Name: | 2-{4-[4-(benzyloxy)-3-methoxyphenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C32 H30 N2 O4 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2892 |
| logD: | 5.2892 |
| logSw: | -5.4622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.576 |
| InChI Key: | PILHMTDKIAFBJY-HSZRJFAPSA-N |