4-({2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0194 |
| Compound Name: | 4-({2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C33 H38 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(CCc1ccccc1)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7881 |
| logD: | 4.7837 |
| logSw: | -4.968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.655 |
| InChI Key: | GEDYIYYGUQOTNY-YTTGMZPUSA-N |