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138598-40-0 | Acetamide, 2-[[(4-methylphenyl)sulfonyl]amino]-N-1,2,4-triazin-3-yl-
CAS No: 138598-40-0 Catalog No: AG0018U6 MDL No:
Product Description
Catalog Number:
AG0018U6
Chemical Name:
Acetamide, 2-[[(4-methylphenyl)sulfonyl]amino]-N-1,2,4-triazin-3-yl-
CAS Number:
138598-40-0
Molecular Formula:
C12H13N5O3S
Molecular Weight:
307.3283
IUPAC Name:
2-[(4-methylphenyl)sulfonylamino]-N-(1,2,4-triazin-3-yl)acetamide
InChI:
InChI=1S/C12H13N5O3S/c1-9-2-4-10(5-3-9)21(19,20)15-8-11(18)16-12-13-6-7-14-17-12/h2-7,15H,8H2,1H3,(H,13,16,17,18)
InChI Key:
FUDPNNAKXWOYIW-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccnn1)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.328g/mol
Monoisotopic Mass:
307.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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