5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0251 |
| Compound Name: | 5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.59 |
| Molecular Formula: | C25 H26 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4247 |
| logD: | 0.5398 |
| logSw: | -4.114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.591 |
| InChI Key: | YBGNUWDFISWHPI-UHFFFAOYSA-N |