4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0112 |
| Compound Name: | 4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.01 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1cc(ccc1N1CCN(CC1)c1ccccc1[Cl])C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4283 |
| logD: | 1.9878 |
| logSw: | -5.4682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.709 |
| InChI Key: | VBPYIRBLSCGMSN-UHFFFAOYSA-N |