5-(3-chlorobenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-chlorobenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(3-chlorobenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1677 |
| Compound Name: | 5-(3-chlorobenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.97 |
| Molecular Formula: | C23 H27 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5395 |
| logD: | 1.2888 |
| logSw: | -3.8461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.014 |
| InChI Key: | XQFSMBCBXUJRHC-UHFFFAOYSA-N |