4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-3846 |
| Compound Name: | 4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C31 H36 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)CC(c2cccc(c2)N2CCCC2)OCc2ccc(C#N)cc2)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2028 |
| logD: | 4.2008 |
| logSw: | -4.2059 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.929 |
| InChI Key: | DYYJXJIZKQCLTL-PMERELPUSA-N |