4'-{[(6-{[4-(2-chloro-6-methylpyridine-4-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-chloro-6-methylpyridine-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2-chloro-6-methylpyridine-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-3051 |
| Compound Name: | 4'-{[(6-{[4-(2-chloro-6-methylpyridine-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 555.03 |
| Molecular Formula: | C31 H27 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(cc(n1)[Cl])C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 3.3796 |
| logSw: | -3.9287 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.413 |
| InChI Key: | ZVGREOAWSQTDKX-UHFFFAOYSA-N |