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1795144-22-7 | Necrosulfonamide-d4
CAS No: 1795144-22-7 Catalog No: AG01E6D5 MDL No:
Product Description
Catalog Number:
AG01E6D5
Chemical Name:
Necrosulfonamide-d4
CAS Number:
1795144-22-7
IUPAC Name:
(E)-3-(5-nitrothiophen-2-yl)-N-[2,3,5,6-tetradeuterio-4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]prop-2-enamide
InChI:
InChI=1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+/i2D,3D,6D,7D
InChI Key:
FNPPHVLYVGMZMZ-GTQWLDGCSA-N
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
465.071g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
465.491g/mol
Monoisotopic Mass:
465.071g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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