2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4051 |
| Compound Name: | 2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 568.57 |
| Molecular Formula: | C26 H27 F3 N2 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1372 |
| logD: | 3.137 |
| logSw: | -3.4289 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.663 |
| InChI Key: | ZPBXVSZWZYINBD-UHFFFAOYSA-N |