N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide

Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide
Available: 48 mg
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mg
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Compound characteristics

Compound ID: C105-2622
Compound Name: N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide
Molecular Weight: 455.35
Molecular Formula: C16 H15 Br N4 O3 S2
Smiles: Cc1cc(ccc1NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O)[Br]
Stereo: ACHIRAL
logP: 3.1438
logD: 3.1384
logSw: -3.3518
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 85.242
InChI Key: WQGVQJGWFPMOSI-UHFFFAOYSA-N
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