5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V004-3536 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C28 H30 N2 O4 |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(/C=C/c3ccccc3)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3881 |
| logD: | 4.3878 |
| logSw: | -4.4773 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.812 |
| InChI Key: | DSBFQQOVSQLGNV-CMDGGOBGSA-N |