1-[4-(methanesulfonyl)piperazin-1-yl]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}butane-1,4-dione
Chemical Structure Depiction of
1-[4-(methanesulfonyl)piperazin-1-yl]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}butane-1,4-dione
1-[4-(methanesulfonyl)piperazin-1-yl]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}butane-1,4-dione
Compound characteristics
| Compound ID: | Y041-0543 |
| Compound Name: | 1-[4-(methanesulfonyl)piperazin-1-yl]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}butane-1,4-dione |
| Molecular Weight: | 512.62 |
| Molecular Formula: | C23 H36 N4 O7 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CCC(N2CCN(CC2)S(C)(=O)=O)=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | -0.4535 |
| logD: | -0.8114 |
| logSw: | -1.8869 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 90.64 |
| InChI Key: | SACXYWUPKBNBSK-UHFFFAOYSA-N |