2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
Compound ID: | F290-0716 |
Compound Name: | 2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid |
Molecular Weight: | 483.56 |
Molecular Formula: | C25 H26 F N3 O4 S |
Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1cccc(c1)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6277 |
logD: | 2.5121 |
logSw: | -4.2831 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.988 |
InChI Key: | JUTVWYJIDOZCHF-UHFFFAOYSA-N |