2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-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: | 8016-7781 |
| Compound Name: | 2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3115 |
| logD: | 4.3115 |
| logSw: | -4.4786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.941 |
| InChI Key: | AUNCADNCHSEBGT-GOSISDBHSA-N |