5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-5033 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 536.57 |
| Molecular Formula: | C26 H27 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccccc3C(F)(F)F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7457 |
| logD: | 4.7456 |
| logSw: | -4.6089 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | ZAOMWBWOPWBOLK-UHFFFAOYSA-N |