4-[benzyl(methyl)amino]-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)

Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Available: 16 mg
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mg
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Compound characteristics

Compound ID: F295-0217
Compound Name: 4-[benzyl(methyl)amino]-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 546.47
Molecular Formula: C21 H18 F2 N2 O4 S
Salt: CF3COOH
Smiles: CN(Cc1ccccc1)c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O
Stereo: ACHIRAL
logP: 4.7669
logD: 1.973
logSw: -4.3955
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 71.252
InChI Key: HJMBGFICGMZZOB-UHFFFAOYSA-N
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