4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)

Chemical Structure Depiction of
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Available: 44 mg
Amount:
mg
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Compound characteristics

Compound ID: F292-0706
Compound Name: 4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 526.53
Molecular Formula: C18 H28 N4 O5 S
Salt: CF3COOH
Smiles: CC(C)(C)NC(CN1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O)=O
Stereo: ACHIRAL
logP: 2.0599
logD: -0.0499
logSw: -2.7833
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 3
Polar surface area: 100.075
InChI Key: UTBCVLAACHJDCX-UHFFFAOYSA-N
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