2-{[4-(2,6-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,6-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(2,6-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V010-9332 |
| Compound Name: | 2-{[4-(2,6-difluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C25 H26 F2 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3c(cccc3F)F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8944 |
| logD: | 3.8943 |
| logSw: | -3.8997 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | DTGBNDJMGFCKGG-UHFFFAOYSA-N |