2-{[4-(2-ethylbutanoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2-ethylbutanoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2-ethylbutanoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V011-5261 |
| Compound Name: | 2-{[4-(2-ethylbutanoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C24 H29 F3 N2 O4 |
| Smiles: | CCC(CC)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.812 |
| logD: | 3.8108 |
| logSw: | -3.9812 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.611 |
| InChI Key: | GZEHDWWAYYMJQP-UHFFFAOYSA-N |