5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3779 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C28 H32 N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(CCc3ccccc3)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2752 |
| logD: | 4.2745 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.812 |
| InChI Key: | XBQKSDAPDYHWFI-UHFFFAOYSA-N |