4'-{[(6-{[4-(2,5-dichlorothiophene-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-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-5012 |
| Compound Name: | 4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 580.49 |
| Molecular Formula: | C29 H23 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(c1cc(sc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5127 |
| logD: | 4.5124 |
| logSw: | -4.6622 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.142 |
| InChI Key: | URIRECVPVUHAJL-UHFFFAOYSA-N |