4-({2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V004-2240 |
| Compound Name: | 4-({2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 500.69 |
| Molecular Formula: | C31 H40 N4 O2 |
| Smiles: | C1CCC(CC1)C(N1CCN(CC1)CC(c1cccc(c1)N1CCCC1)OCc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8244 |
| logD: | 4.8174 |
| logSw: | -4.7945 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.375 |
| InChI Key: | FPTLICTYJAWLHC-PMERELPUSA-N |