4'-({[6-({4-[3,5-bis(trifluoromethyl)benzene-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-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
4'-({[6-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V011-5861 |
| Compound Name: | 4'-({[6-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 677.62 |
| Molecular Formula: | C32 H25 F6 N3 O5 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)S(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2907 |
| logD: | 5.2905 |
| logSw: | -5.7175 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.187 |
| InChI Key: | KDFLZVSWWSDBLS-UHFFFAOYSA-N |