2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)

Chemical Structure Depiction of
2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Available: 6 mg
Amount:
mg
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Compound characteristics

Compound ID: G889-0272
Compound Name: 2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Molecular Weight: 470.42
Molecular Formula: C20 H21 F N2 O3
Salt: CF3COOH
Smiles: C1CCCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O
Stereo: ACHIRAL
logP: 4.3787
logD: 2.1281
logSw: -4.1682
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 2
Polar surface area: 55.22
InChI Key: YFXJYYCDFHSFEY-UHFFFAOYSA-N
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