4-({2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
Compound ID: | V010-9878 |
Compound Name: | 4-({2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
Molecular Weight: | 536.72 |
Molecular Formula: | C34 H40 N4 O2 |
Salt: | not_available |
Smiles: | CCC(C(N1CCN(CC1)CC(c1cccc(c1)N1CCCC1)OCc1ccc(C#N)cc1)=O)c1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.378 |
logD: | 5.3717 |
logSw: | -5.3864 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.182 |
InChI Key: | FIJXCDLDFWFFOA-UHFFFAOYSA-N |