N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide

Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide
Available: 51 mg
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mg
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Compound characteristics

Compound ID: C758-0049
Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide
Molecular Weight: 416.49
Molecular Formula: C21 H24 N2 O5 S
Smiles: COc1ccc(CCNC(CN2C(CCS(c3ccccc23)=O)=O)=O)cc1OC
Stereo: ACHIRAL
logP: 0.8765
logD: 0.8765
logSw: -2.4144
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 70.68
InChI Key: NUICJOIGYZQPNS-UHFFFAOYSA-N
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