2-[2,5-dioxo-4-(thiophen-2-yl)-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-[2,5-dioxo-4-(thiophen-2-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[2,5-dioxo-4-(thiophen-2-yl)-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: | 8017-0908 |
| Compound Name: | 2-[2,5-dioxo-4-(thiophen-2-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C23 H22 N2 O2 S2 |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(CC3=O)c3cccs3)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2416 |
| logD: | 4.2416 |
| logSw: | -4.479 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.981 |
| InChI Key: | IMDSMJURPQMSIS-OAHLLOKOSA-N |