4'-{[(6-{[4-(2,3-dimethylbenzoyl)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-dimethylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2,3-dimethylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
Compound ID: | V006-7616 |
Compound Name: | 4'-{[(6-{[4-(2,3-dimethylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
Molecular Weight: | 533.63 |
Molecular Formula: | C33 H31 N3 O4 |
Salt: | not_available |
Smiles: | Cc1cccc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)c1C |
Stereo: | ACHIRAL |
logP: | 4.4258 |
logD: | 4.4254 |
logSw: | -4.4132 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 67.124 |
InChI Key: | PTXAMIGDMMPACY-UHFFFAOYSA-N |