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Home > Nitro Compounds > 332160-74-4
332160-74-4 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS No: 332160-74-4 Catalog No: AG01EV61 MDL No:
Product Description
Catalog Number:
AG01EV61
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS Number:
332160-74-4
Molecular Formula:
C17H16N4O3S
Molecular Weight:
356.3989
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
InChI:
InChI=1S/C17H16N4O3S/c1-10-6-12(3)19-17(14(10)8-18)25-9-16(22)20-15-5-4-13(21(23)24)7-11(15)2/h4-7H,9H2,1-3H3,(H,20,22)
InChI Key:
YUEQCGVAEUGEED-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1ccc(cc1C)[N+](=O)[O-])C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.4g/mol
Monoisotopic Mass:
356.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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