2-[4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7788 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(CC3=O)c3ccc4c(c3)OCO4)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5424 |
| logD: | 4.5424 |
| logSw: | -4.598 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.078 |
| InChI Key: | KQDMNXRBFHLMLU-QGZVFWFLSA-N |