4'-{[(6-{[4-(1-benzothiophene-2-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-(1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-3062 |
| Compound Name: | 4'-{[(6-{[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C33 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(c1cc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9884 |
| logD: | 4.9881 |
| logSw: | -5.4018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.871 |
| InChI Key: | PTCGZLHTFVXEFR-UHFFFAOYSA-N |