4'-{[(6-{[4-(2,5-dimethylfuran-3-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-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V009-0277 |
| Compound Name: | 4'-{[(6-{[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C31 H29 N3 O5 |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4268 |
| logD: | 3.4265 |
| logSw: | -3.6964 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.871 |
| InChI Key: | NEICRKLXXYZOLW-UHFFFAOYSA-N |