4-[(2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
Chemical Structure Depiction of
4-[(2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
4-[(2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | V002-0242 |
| Compound Name: | 4-[(2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile |
| Molecular Weight: | 534.7 |
| Molecular Formula: | C34 H38 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(C1C[C@H]1c1ccccc1)=O)OCc1ccc(C#N)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0798 |
| logD: | 5.0727 |
| logSw: | -5.3537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.434 |
| InChI Key: | IXDKKKNOGTVPDK-OACPZOSXSA-N |