N-(3-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide

Chemical Structure Depiction of
N-(3-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Available: 2 mg
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mg
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Compound characteristics

Compound ID: C714-0045
Compound Name: N-(3-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Molecular Weight: 357.39
Molecular Formula: C17 H15 N3 O4 S
Smiles: C1CSc2ccccc2N(CC(Nc2cccc(c2)[N+]([O-])=O)=O)C1=O
Stereo: ACHIRAL
logP: 3.3082
logD: 3.3068
logSw: -3.6982
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 72.481
InChI Key: BALSWHKZQPNNOL-UHFFFAOYSA-N
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