2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0101 |
| Compound Name: | 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 563.96 |
| Molecular Formula: | C25 H24 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5347 |
| logD: | 3.2841 |
| logSw: | -5.4275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.849 |
| InChI Key: | RVYCGSDJVGUOBU-UHFFFAOYSA-N |