4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V008-8625 |
| Compound Name: | 4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3ccc(C#N)cc3)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3416 |
| logD: | 3.3413 |
| logSw: | -3.3477 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.396 |
| InChI Key: | NYBAFXGVGCJWES-UHFFFAOYSA-N |