5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0980 |
| Compound Name: | 5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8057 |
| logD: | -0.3106 |
| logSw: | -4.0265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.617 |
| InChI Key: | AIAULWDZYVBPET-UHFFFAOYSA-N |