2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid


Chemical Name: 2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
CAS Number: 207971-23-1
Product Number: AG002JD8(AGN-PC-07A1RO)
Synonyms:
MDL No:
Molecular Formula: C31H43F3N6O8S
Molecular Weight: 716.7687

Identification/Properties


Computed Properties
Molecular Weight:
716.774g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
23
Exact Mass:
716.282g/mol
Monoisotopic Mass:
716.282g/mol
Topological Polar Surface Area:
214A^2
Heavy Atom Count:
49
Formal Charge:
0
Complexity:
1150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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