1-(5-bromo-2-methoxybenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Chemical Structure Depiction of
1-(5-bromo-2-methoxybenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
1-(5-bromo-2-methoxybenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Compound characteristics
Compound ID: | K831-0187 |
Compound Name: | 1-(5-bromo-2-methoxybenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine |
Molecular Weight: | 515.42 |
Molecular Formula: | C21 H27 Br N2 O6 S |
Smiles: | COc1ccc(cc1S(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)(=O)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 3.1691 |
logD: | 3.069 |
logSw: | -3.2717 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 66.185 |
InChI Key: | ORWQAZDWNYSXEU-UHFFFAOYSA-N |