4-({2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0198 |
| Compound Name: | 4-({2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C31 H32 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(c1cc(cc(c1)F)F)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6703 |
| logD: | 4.6683 |
| logSw: | -4.8048 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.182 |
| InChI Key: | IARPKEOPFNNOAS-PMERELPUSA-N |