1-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate


Chemical Name: 1-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate
CAS Number: 445441-26-9
Product Number: AG00DKAO(AGN-PC-0LVF2Z)
Synonyms:
MDL No:
Molecular Formula: C21H22F2N2O3S
Molecular Weight: 420.4727864

Identification/Properties


Computed Properties
Molecular Weight:
420.475g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
420.132g/mol
Monoisotopic Mass:
420.132g/mol
Topological Polar Surface Area:
59.9A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
655
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

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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