4-bromo-N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide


Chemical Name: 4-bromo-N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CAS Number: 362482-00-6
Product Number: AG01EPM8(AGN-PC-0K8RG7)
Synonyms:
MDL No: MFCD01344061
Molecular Formula: C21H23BrN2OS
Molecular Weight: 431.3891

Identification/Properties


Computed Properties
Molecular Weight:
431.392g/mol
XLogP3:
7.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
430.071g/mol
Monoisotopic Mass:
430.071g/mol
Topological Polar Surface Area:
81.1A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
564
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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