N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide

Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: E977-0877
Compound Name: N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Molecular Weight: 415.51
Molecular Formula: C21 H25 N3 O4 S
Smiles: Cc1cccc(c1C)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O
Stereo: ACHIRAL
logP: 2.4409
logD: 2.4408
logSw: -2.8539
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 3
Polar surface area: 89.442
InChI Key: MCUDTZPUGWBGFN-UHFFFAOYSA-N
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