methyl 5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate


Chemical Name: methyl 5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CAS Number: 264233-05-8
Product Number: AG00C2VK(AGN-PC-0KKEGK)
Synonyms:
MDL No:
Molecular Formula: C17H19F2N5O2S
Molecular Weight: 395.4269

Identification/Properties


Computed Properties
Molecular Weight:
395.429g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
395.123g/mol
Monoisotopic Mass:
395.123g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
572
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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