5-[(4-fluorophenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-fluorophenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(4-fluorophenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V030-9078 |
| Compound Name: | 5-[(4-fluorophenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C22 H25 F N2 O4 |
| Smiles: | CC(C)=CC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2838 |
| logD: | 2.2834 |
| logSw: | -2.5487 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.083 |
| InChI Key: | DWINMUMNHFNBKT-UHFFFAOYSA-N |