4'-{[(6-{[4-(3-methylbut-2-enoyl)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-methylbut-2-enoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V004-3493 |
| Compound Name: | 4'-{[(6-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Salt: | not_available |
| Smiles: | CC(C)=CC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2921 |
| logD: | 3.2917 |
| logSw: | -3.5852 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.868 |
| InChI Key: | VXHOCWYHMOHQEM-UHFFFAOYSA-N |