4-{4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl}benzonitrile
4-{4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-2786 |
| Compound Name: | 4-{4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 450.37 |
| Molecular Formula: | C25 H21 Cl2 N3 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(cc1)[Cl])c1ccc(cc1)[Cl])C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1976 |
| logD: | 5.1975 |
| logSw: | -6.0484 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.504 |
| InChI Key: | ACTAFEWEGDRYAK-UHFFFAOYSA-N |