4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)

Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Available: 28 mg
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mg
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Compound characteristics

Compound ID: F292-0502
Compound Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 588.56
Molecular Formula: C22 H26 N4 O6 S
Salt: CF3COOH
Smiles: COc1ccc(cc1OC)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O
Stereo: ACHIRAL
logP: 1.9405
logD: 0.1799
logSw: -2.6555
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 2
Polar surface area: 108.293
InChI Key: GFLPWGUOWMKYLF-UHFFFAOYSA-N
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