4'-{[(6-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(6-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V011-1150 |
| Compound Name: | 4'-{[(6-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 540.53 |
| Molecular Formula: | C29 H24 N4 O7 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(c1ccc([N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7723 |
| logD: | 2.772 |
| logSw: | -3.4156 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 109.784 |
| InChI Key: | VGBQKWGCMIGFMD-UHFFFAOYSA-N |