5-(3-chlorobenzamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-chlorobenzamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(3-chlorobenzamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0443 |
| Compound Name: | 5-(3-chlorobenzamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 577.99 |
| Molecular Formula: | C26 H26 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3098 |
| logD: | 4.0591 |
| logSw: | -5.7568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.849 |
| InChI Key: | RJONCPQEDKDCIL-UHFFFAOYSA-N |