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

Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Available: 61 mg
Amount:
mg
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Compound characteristics

Compound ID: F292-0513
Compound Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 556.56
Molecular Formula: C22 H26 N4 O4 S
Salt: CF3COOH
Smiles: CCc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O
Stereo: ACHIRAL
logP: 3.3611
logD: 0.6223
logSw: -3.6974
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 93.032
InChI Key: MUPQOGGQZOSYIO-UHFFFAOYSA-N
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