4-({1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
4-({1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V013-7490 |
| Compound Name: | 4-({1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C31 H35 N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)CC(c1cccc(c1)OC)OCc1ccc(C#N)cc1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7778 |
| logD: | 4.7731 |
| logSw: | -4.6548 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.908 |
| InChI Key: | IRSFRLSDZPUGMW-UHFFFAOYSA-N |