1H-Thieno[3,4-d]imidazole-4-pentanamide,hexahydro-2-oxo-N-[2-(2-pyridinyldithio)ethyl]-, [3aS-(3aa,4b,6aa)]-


Chemical Name: 1H-Thieno[3,4-d]imidazole-4-pentanamide,hexahydro-2-oxo-N-[2-(2-pyridinyldithio)ethyl]-, [3aS-(3aa,4b,6aa)]-
CAS Number: 112247-65-1
Product Number: AG00833G(AGN-PC-0P37EY)
Synonyms:
MDL No:
Molecular Formula: C17H24N4O2S3
Molecular Weight: 412.5931

Identification/Properties


Computed Properties
Molecular Weight:
412.585g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
10
Exact Mass:
412.106g/mol
Monoisotopic Mass:
412.106g/mol
Topological Polar Surface Area:
159A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
483
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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