4'-[({6-[(4-hexanoylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl][1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-[({6-[(4-hexanoylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl][1,1'-biphenyl]-2-carbonitrile
4'-[({6-[(4-hexanoylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl][1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-0813 |
| Compound Name: | 4'-[({6-[(4-hexanoylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl][1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C30 H33 N3 O4 |
| Salt: | not_available |
| Smiles: | CCCCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9917 |
| logD: | 3.991 |
| logSw: | -4.2063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.868 |
| InChI Key: | WAIKLOBUWGMAFV-UHFFFAOYSA-N |