5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-2749 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3cccc(c3)OC)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9383 |
| logD: | 3.9381 |
| logSw: | -4.0447 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.946 |
| InChI Key: | SHTPECIWCHYPFM-UHFFFAOYSA-N |