4'-{[(4-oxo-6-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(4-oxo-6-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(4-oxo-6-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-2762 |
| Compound Name: | 4'-{[(4-oxo-6-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C34 H33 N3 O4 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.602 |
| logD: | 4.6009 |
| logSw: | -4.5691 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.124 |
| InChI Key: | LCFQZBLVWLLNDB-SSEXGKCCSA-N |