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

Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Available: 22 mg
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mg
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Compound characteristics

Compound ID: F292-0698
Compound Name: 3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 578.54
Molecular Formula: C21 H25 F N4 O5 S
Salt: CF3COOH
Smiles: CCS(Nc1cc(ccc1N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)C(O)=O)(=O)=O
Stereo: ACHIRAL
logP: 3.3006
logD: 1.5401
logSw: -3.5886
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 3
Polar surface area: 100.338
InChI Key: NBVVYLFDNLCMLS-UHFFFAOYSA-N
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