5-[(3,5-dimethylphenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V031-2636 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 542.56 |
| Molecular Formula: | C29 H29 F3 N2 O5 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(/C=C/c3ccc(cc3)OC(F)(F)F)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.575 |
| logD: | 5.5747 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.749 |
| InChI Key: | RXGLQXRDCIAKEA-UHFFFAOYSA-N |