4-({1-(3-methoxyphenyl)-2-[4-(4-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({1-(3-methoxyphenyl)-2-[4-(4-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
4-({1-(3-methoxyphenyl)-2-[4-(4-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V012-9550 |
| Compound Name: | 4-({1-(3-methoxyphenyl)-2-[4-(4-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCC(N1CCN(CC1)CC(c1cccc(c1)OC)OCc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9421 |
| logD: | 3.9388 |
| logSw: | -4.0615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.652 |
| InChI Key: | JGLOKBYSRGEURJ-SANMLTNESA-N |