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Home > Nitro Compounds > 332161-14-5
332161-14-5 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS No: 332161-14-5 Catalog No: AG01EV65 MDL No:
Product Description
Catalog Number:
AG01EV65
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS Number:
332161-14-5
Molecular Formula:
C17H16N4O3S
Molecular Weight:
356.3989
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C17H16N4O3S/c1-10-4-5-13(7-15(10)21(23)24)20-16(22)9-25-17-14(8-18)11(2)6-12(3)19-17/h4-7H,9H2,1-3H3,(H,20,22)
InChI Key:
DTSXZMRUWPZEJL-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])C)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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