4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-3733 |
| Compound Name: | 4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 533.63 |
| Molecular Formula: | C33 H31 N3 O4 |
| Salt: | not_available |
| Smiles: | C(Cc1ccccc1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0121 |
| logD: | 4.0114 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.596 |
| InChI Key: | PWESLQASAWLYEP-UHFFFAOYSA-N |