1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide

Base Information

• Chemical Name: 1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide
• CAS No.: 115243-01-1
• Molecular Formula: C20H23 N3 O4 S
• Molecular Weight: 401.4793
• DSSTox Substance ID: DTXSID50151016
• Wikidata: Q83017404
• Mol file: 115243-01-1.mol

Synonyms:1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide;115243-01-1;C20H23N3O4S;DTXSID50151016;C20-H23-N3-O4-S;LS-150139

Chemical Property of 1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.92E-14mmHg at 25°C
• Boiling Point: 601.9°Cat760mmHg
• Flash Point: 317.8°C
• Density: 1.34g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 401.14092740
• Heavy Atom Count: 28
• Complexity: 625

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN2CCCN3C4=CC=CC=C4N=C3S2(=O)=O)OC

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