2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3125 |
| Compound Name: | 2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 530.5 |
| Molecular Formula: | C27 H25 F3 N2 O6 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)C(C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3953 |
| logD: | 3.3943 |
| logSw: | -3.6342 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.776 |
| InChI Key: | KHNIWGLWRBYXJF-VWLOTQADSA-N |