2-[4-(4-nitrophenyl)-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-(4-nitrophenyl)-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-(4-nitrophenyl)-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: | 8017-0254 |
| Compound Name: | 2-[4-(4-nitrophenyl)-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: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(CC3=O)c3ccc(cc3)[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4706 |
| logD: | 4.4706 |
| logSw: | -4.5824 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.344 |
| InChI Key: | SJNFQHCKHDVVPF-GOSISDBHSA-N |