6-(difluoromethoxy)-2-[[3-methoxy-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole


Chemical Name: 6-(difluoromethoxy)-2-[[3-methoxy-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
CAS Number: 102625-70-7
Product Number: AG019FT8(AGN-PC-00PUH8)
Synonyms:
MDL No: MFCD00870182
Molecular Formula: C16H15F2N3O4S
Molecular Weight: 383.3698

Identification/Properties


Computed Properties
Molecular Weight:
383.37g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
7
Exact Mass:
383.075g/mol
Monoisotopic Mass:
383.075g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
490
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P322-P330-P363-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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