4'-{[(6-{[4-(3-methoxybenzene-1-sulfonyl)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-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V007-9218 |
| Compound Name: | 4'-{[(6-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 571.65 |
| Molecular Formula: | C31 H29 N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6752 |
| logD: | 3.675 |
| logSw: | -3.9561 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.73 |
| InChI Key: | NXSOFTHVPICXGD-UHFFFAOYSA-N |