2-(4-bromobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(4-bromobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-(4-bromobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
Compound ID: | F687-0825 |
Compound Name: | 2-(4-bromobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
Molecular Weight: | 489.37 |
Molecular Formula: | C22 H25 Br N4 O4 |
Smiles: | CN(C)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0841 |
logD: | -2.0322 |
logSw: | -2.9236 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.778 |
InChI Key: | DQUSOUMYGBAGSN-UHFFFAOYSA-N |