N-(6-{[3-(4-Bromophenyl)-1,2-benzisothiazol-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine

Base Information

• Chemical Name: N-(6-{[3-(4-Bromophenyl)-1,2-benzisothiazol-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine
• CAS No.: 192441-87-5
• Molecular Formula: C23H27BrN2OS
• DSSTox Substance ID: DTXSID401123635
• Wikidata: Q27093524
• Pharos Ligand ID: CLH1VJZ6TKFQ
• Metabolomics Workbench ID: 147122
• ChEMBL ID: CHEMBL67133

Synonyms:CHEMBL67133;N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE;allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl)-methyl-amine;Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl}-methyl-amine;1h3c;SCHEMBL4311426;DTXSID401123635;BDBM50128063;DB02544;Q27093524;6-[[3-(4-Bromophenyl)-1,2-benzisothiazol-6-yl]oxy]-N-methyl-N-2-propen-1-yl-1-hexanamine;N-allyl-6-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)-N-methylhexan-1-aminium;192441-87-5;R79

Chemical Property of N-(6-{[3-(4-Bromophenyl)-1,2-benzisothiazol-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 458.10275
• Heavy Atom Count: 28
• Complexity: 458

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MSDS Files:

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• Canonical SMILES: CN(CCCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C

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