4'-{[(6-{[4-(5-chloro-1-methyl-1H-pyrazole-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-(5-chloro-1-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(5-chloro-1-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-3115 |
| Compound Name: | 4'-{[(6-{[4-(5-chloro-1-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 544.01 |
| Molecular Formula: | C29 H26 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | Cn1c(c(cn1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4843 |
| logD: | 2.4839 |
| logSw: | -3.4027 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.992 |
| InChI Key: | BDQKEDQGBNMSJV-UHFFFAOYSA-N |