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332160-88-0 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS No: 332160-88-0 Catalog No: AG01EV62 MDL No:
Product Description
Catalog Number:
AG01EV62
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS Number:
332160-88-0
Molecular Formula:
C17H16N4O4S
Molecular Weight:
372.3983
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
InChI:
InChI=1S/C17H16N4O4S/c1-10-6-11(2)19-17(13(10)8-18)26-9-16(22)20-14-5-4-12(25-3)7-15(14)21(23)24/h4-7H,9H2,1-3H3,(H,20,22)
InChI Key:
MCURLNFXTIFURY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nc(C)cc(c1C#N)C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.399g/mol
Monoisotopic Mass:
372.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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