5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4008 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 560.59 |
| Molecular Formula: | C28 H27 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)C(/C=C/c3ccc(cc3)OC(F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9939 |
| logD: | 4.9936 |
| logSw: | -4.7408 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 55.749 |
| InChI Key: | GVGVCHQOTHPTNN-IZZDOVSWSA-N |