2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
Compound ID: | F687-0018 |
Compound Name: | 2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
Molecular Weight: | 412.87 |
Molecular Formula: | C21 H21 Cl N4 O3 |
Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccccc1[Cl])=O)C#N |
Stereo: | ACHIRAL |
logP: | 2.4634 |
logD: | -1.6528 |
logSw: | -3.2877 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.775 |
InChI Key: | ZSEDIJBIOGJACM-UHFFFAOYSA-N |