4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile
4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V003-8504 |
| Compound Name: | 4-{4-[(4-bromophenyl)(phenyl)methyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C25 H22 Br N3 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccccc1)c1ccc(cc1)[Br])C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8464 |
| logD: | 4.8458 |
| logSw: | -4.9176 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.504 |
| InChI Key: | YJNKABCUEFHNSB-DEOSSOPVSA-N |