4'-{[(6-{[4-(3-tert-butyl-1-methyl-1H-pyrazole-5-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-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-2785 |
| Compound Name: | 4'-{[(6-{[4-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 565.67 |
| Molecular Formula: | C33 H35 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6886 |
| logD: | 3.6883 |
| logSw: | -3.9253 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.64 |
| InChI Key: | PYRFWGGERFESBZ-UHFFFAOYSA-N |