5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3956 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C29 H34 N2 O4 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8651 |
| logD: | 4.864 |
| logSw: | -4.7676 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | PVTJJQQOKFNZGB-UHFFFAOYSA-N |