4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0725 |
| Compound Name: | 4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(2-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: | Cc1ccccc1S(Nc1cc(ccc1N1CCN(CC1)Cc1cccc(c1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5569 |
| logD: | 1.1164 |
| logSw: | -4.2006 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.29 |
| InChI Key: | ZELNCPNDKCOILQ-UHFFFAOYSA-N |