4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-5265 |
| Compound Name: | 4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 555.58 |
| Molecular Formula: | C32 H27 F2 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)c(c1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.592 |
| logD: | 4.5916 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.124 |
| InChI Key: | BUPGUSPMJCJWAC-UHFFFAOYSA-N |