4-[4-({5-[(2-chlorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-({5-[(2-chlorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
4-[4-({5-[(2-chlorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V004-3535 |
| Compound Name: | 4-[4-({5-[(2-chlorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C25 H22 Cl N3 O4 |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5159 |
| logD: | 2.5156 |
| logSw: | -3.0591 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.396 |
| InChI Key: | BMOTVKBRBHWPAL-UHFFFAOYSA-N |