2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
Compound ID: | 8016-8598 |
Compound Name: | 2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Molecular Weight: | 492.59 |
Molecular Formula: | C27 H28 N2 O5 S |
Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCc2s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8156 |
logD: | 3.8156 |
logSw: | -4.3073 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.61 |
InChI Key: | NMTKCGMAEJIZJZ-QGZVFWFLSA-N |