4-({2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-1125 |
| Compound Name: | 4-({2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 548.69 |
| Molecular Formula: | C34 H36 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1c2ccccc2oc1C(N1CCN(CC1)CC(c1cccc(c1)N1CCCC1)OCc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5806 |
| logD: | 5.5786 |
| logSw: | -5.6885 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.708 |
| InChI Key: | UVOHGMMKQYDUNP-YTTGMZPUSA-N |