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332160-77-7 | N-(2-Bromo-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 332160-77-7 Catalog No: AG01F4JW MDL No:
Product Description
Catalog Number:
AG01F4JW
Chemical Name:
N-(2-Bromo-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
332160-77-7
Molecular Formula:
C16H14BrN3OS
Molecular Weight:
376.2709
IUPAC Name:
N-(2-bromophenyl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide
InChI:
InChI=1S/C16H14BrN3OS/c1-10-7-11(2)19-16(12(10)8-18)22-9-15(21)20-14-6-4-3-5-13(14)17/h3-7H,9H2,1-2H3,(H,20,21)
InChI Key:
KYPFQKWRVBYUCA-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1ccccc1Br)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.004g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.272g/mol
Monoisotopic Mass:
375.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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