2-(3-chlorobenzamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(3-chlorobenzamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
2-(3-chlorobenzamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0981 |
| Compound Name: | 2-(3-chlorobenzamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C23 H27 Cl N4 O4 |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2189 |
| logD: | -0.8973 |
| logSw: | -3.5612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.617 |
| InChI Key: | CQSSMUWJDBPFLU-UHFFFAOYSA-N |