1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4H-2$l^{6},1,3-benzothiadiazine 2,2-dioxide


Chemical Name: 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4H-2$l^{6},1,3-benzothiadiazine 2,2-dioxide
CAS Number: 271780-64-4
Product Number: AG007LQI(AGN-PC-0N2YGS)
Synonyms:
MDL No:
Molecular Formula: C26H31FN4O4S2
Molecular Weight: 546.6771

Identification/Properties


Computed Properties
Molecular Weight:
546.676g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
6
Exact Mass:
546.177g/mol
Monoisotopic Mass:
546.177g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
1070
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


NMR Spectrum


Other Analytical Data


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