4-({2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
Compound ID: | V001-2498 |
Compound Name: | 4-({2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
Molecular Weight: | 550.72 |
Molecular Formula: | C33 H34 N4 O2 S |
Salt: | not_available |
Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(c1cc2ccccc2s1)=O)OCc1ccc(C#N)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7644 |
logD: | 5.7625 |
logSw: | -6.7415 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.929 |
InChI Key: | LQEPPIBYDCOXKT-PMERELPUSA-N |