4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)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-5-fluorobenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-5021 |
| Compound Name: | 4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 558.01 |
| Molecular Formula: | C31 H25 Cl F N3 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(c1cc(ccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3247 |
| logD: | 4.3244 |
| logSw: | -4.6142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.124 |
| InChI Key: | FPMMMIOROMBTBS-UHFFFAOYSA-N |