2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1511 |
| Compound Name: | 2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 528.62 |
| Molecular Formula: | C27 H32 N2 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccc(c(c3)OC)OC)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5649 |
| logD: | 3.5647 |
| logSw: | -3.7594 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.663 |
| InChI Key: | FDBBCLMHQZIBJB-UHFFFAOYSA-N |