3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0729 |
Compound Name: | 3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 601.55 |
Molecular Formula: | C24 H23 F2 N3 O4 S |
Salt: | CF3COOH |
Smiles: | C1CN(CCN1Cc1ccccc1F)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.5952 |
logD: | 1.4368 |
logSw: | -4.2902 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.29 |
InChI Key: | CGOZHAFIAOBCIY-UHFFFAOYSA-N |