4'-{[(6-{[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(6-{[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-0789 |
| Compound Name: | 4'-{[(6-{[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C32 H35 N3 O4 |
| Salt: | not_available |
| Smiles: | C1CCC(C1)CCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0018 |
| logD: | 4.001 |
| logSw: | -4.3595 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.155 |
| InChI Key: | HYJCMWVOLOCIQA-UHFFFAOYSA-N |