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332177-09-0 | 2-(3-Cyano-6-methyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS No: 332177-09-0 Catalog No: AG01EV7X MDL No:
Product Description
Catalog Number:
AG01EV7X
Chemical Name:
2-(3-Cyano-6-methyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS Number:
332177-09-0
Molecular Formula:
C16H14N4O3S
Molecular Weight:
342.3724
IUPAC Name:
2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
InChI:
InChI=1S/C16H14N4O3S/c1-10-7-13(20(22)23)5-6-14(10)19-15(21)9-24-16-12(8-17)4-3-11(2)18-16/h3-7H,9H2,1-2H3,(H,19,21)
InChI Key:
ZDZPGFOCACTELE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1C)[N+](=O)[O-])C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.373g/mol
Monoisotopic Mass:
342.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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