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332040-65-0 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS No: 332040-65-0 Catalog No: AG01EV10 MDL No:
Product Description
Catalog Number:
AG01EV10
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS Number:
332040-65-0
Molecular Formula:
C26H19N3OS
Molecular Weight:
421.5136
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C26H19N3OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-26(23)31-18-25(30)28-21-14-8-3-9-15-21/h1-16H,18H2,(H,28,30)
InChI Key:
RZPOSNYGYZFGGC-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.125g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.518g/mol
Monoisotopic Mass:
421.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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