5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-2774 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 558.52 |
| Molecular Formula: | C25 H23 F5 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3c(c(c(c(c3F)F)F)F)F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3201 |
| logD: | 4.32 |
| logSw: | -4.3452 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | MEYLXJPIWUIJFG-UHFFFAOYSA-N |