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Home > Nitro Compounds > 329934-67-0
329934-67-0 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-acetamide
CAS No: 329934-67-0 Catalog No: AG01EUYN MDL No:
Product Description
Catalog Number:
AG01EUYN
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-acetamide
CAS Number:
329934-67-0
Molecular Formula:
C16H14N4O3S
Molecular Weight:
342.3724
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C16H14N4O3S/c1-10-6-11(2)18-16(14(10)8-17)24-9-15(21)19-12-4-3-5-13(7-12)20(22)23/h3-7H,9H2,1-2H3,(H,19,21)
InChI Key:
QPHAEEOTVNEZFP-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1cccc(c1)[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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