N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Available: 82 mg
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mg
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Compound characteristics

Compound ID: K788-1400
Compound Name: N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Molecular Weight: 522.62
Molecular Formula: C31 H26 N2 O4 S
Smiles: Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)c1
Stereo: ACHIRAL
logP: 6.8034
logD: 6.8034
logSw: -5.5304
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 56.929
InChI Key: KPVKNEQUIDGSNF-UHFFFAOYSA-N
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