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Home > Nitro Compounds > 332161-05-4
332161-05-4 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS No: 332161-05-4 Catalog No: AG01EV63 MDL No:
Product Description
Catalog Number:
AG01EV63
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS Number:
332161-05-4
Molecular Formula:
C18H18N4O3S
Molecular Weight:
370.4255
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide
InChI:
InChI=1S/C18H18N4O3S/c1-10-7-12(3)20-18(15(10)9-19)26-13(4)17(23)21-16-6-5-14(22(24)25)8-11(16)2/h5-8,13H,1-4H3,(H,21,23)
InChI Key:
UVXWUJAVHGYHCK-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SC(C(=O)Nc1ccc(cc1C)[N+](=O)[O-])C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.427g/mol
Monoisotopic Mass:
370.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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