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332040-30-9 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-acetamide
CAS No: 332040-30-9 Catalog No: AG01EV0U MDL No:
Product Description
Catalog Number:
AG01EV0U
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-acetamide
CAS Number:
332040-30-9
Molecular Formula:
C28H23N3OS
Molecular Weight:
449.5667
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
InChI:
InChI=1S/C28H23N3OS/c1-19-10-9-11-20(2)27(19)31-26(32)18-33-28-24(17-29)23(21-12-5-3-6-13-21)16-25(30-28)22-14-7-4-8-15-22/h3-16H,18H2,1-2H3,(H,31,32)
InChI Key:
LYLRVDUFFCAVSI-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2c(C)cccc2C)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.156g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.572g/mol
Monoisotopic Mass:
449.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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