4'-{[(6-{[4-(2-chloropyridine-3-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-(2-chloropyridine-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-3804 |
| Compound Name: | 4'-{[(6-{[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 541.01 |
| Molecular Formula: | C30 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(c1cccnc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9752 |
| logD: | 2.9748 |
| logSw: | -3.7334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.809 |
| InChI Key: | NADDPACCTOBSME-UHFFFAOYSA-N |