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Home > Pyridines > 336180-16-6
336180-16-6 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-cyclohexyl-acetamide
CAS No: 336180-16-6 Catalog No: AG01EVIB MDL No:
Product Description
Catalog Number:
AG01EVIB
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-cyclohexyl-acetamide
CAS Number:
336180-16-6
Molecular Formula:
C26H25N3OS
Molecular Weight:
427.5612
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-cyclohexylacetamide
InChI:
InChI=1S/C26H25N3OS/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/h1-2,4-7,10-13,16,21H,3,8-9,14-15,18H2,(H,28,30)
InChI Key:
ZYASSPMDJXLOMP-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:
427.172g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.566g/mol
Monoisotopic Mass:
427.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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