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362482-00-6 | 4-bromo-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-benzamide
CAS No: 362482-00-6 Catalog No: AG01EPM8 MDL No:
Product Description
Catalog Number:
AG01EPM8
Chemical Name:
4-bromo-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-benzamide
CAS Number:
362482-00-6
Molecular Formula:
C21H23BrN2OS
Molecular Weight:
431.3891
IUPAC Name:
4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
InChI:
InChI=1S/C21H23BrN2OS/c1-4-21(2,3)14-7-10-16-17(12-23)20(26-18(16)11-14)24-19(25)13-5-8-15(22)9-6-13/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,24,25)
InChI Key:
GINRSMLGSRKRLT-UHFFFAOYSA-N
SMILES:
CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1ccc(cc1)Br)(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.071g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.392g/mol
Monoisotopic Mass:
430.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
Literature
| Title | Journal |
|---|---|
| Discovery and investigation of a novel class of thiophene-derived antagonists of the human glucagon receptor. | Bioorganic & medicinal chemistry letters 20050301 |
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