methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoate


Chemical Name: methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoate
CAS Number: 165963-73-5
Product Number: AG001WFP(AGN-PC-07Y513)
Synonyms:
MDL No:
Molecular Formula: C21H28F3N3O7
Molecular Weight: 491.4581

Identification/Properties


Computed Properties
Molecular Weight:
491.464g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
15
Exact Mass:
491.188g/mol
Monoisotopic Mass:
491.188g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
707
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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