2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0258 |
| Compound Name: | 2-[(2,5-dimethylbenzene-1-sulfonyl)amino]-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.65 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1cccc(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9151 |
| logD: | 2.0303 |
| logSw: | -5.2633 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | BHESOZMQTQGZPM-UHFFFAOYSA-N |