2-(3-chlorobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(3-chlorobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-(3-chlorobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0990 |
| Compound Name: | 2-(3-chlorobenzamido)-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C22 H25 Cl N4 O4 |
| Smiles: | CN(C)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9129 |
| logD: | -2.2033 |
| logSw: | -3.0731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.778 |
| InChI Key: | LBLIEXOTTYFFPK-UHFFFAOYSA-N |