5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)

Chemical Structure Depiction of
5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Available: 10 mg
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mg
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Compound characteristics

Compound ID: F684-0152
Compound Name: 5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 512.5
Molecular Formula: C17 H26 N4 O5 S
Salt: CF3COOH
Smiles: CCS(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N(C)C)=O)(=O)=O
Stereo: ACHIRAL
logP: 0.0455
logD: -4.126
logSw: -2.4468
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 93.235
InChI Key: XSQAOOJLIAVSEG-UHFFFAOYSA-N
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