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Home > Pyridines > 337499-35-1
337499-35-1 | 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-ethyl-phenyl)-acetamide
CAS No: 337499-35-1 Catalog No: AG01EVJS MDL No:
Product Description
Catalog Number:
AG01EVJS
Chemical Name:
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-ethyl-phenyl)-acetamide
CAS Number:
337499-35-1
Molecular Formula:
C30H27N3O3S
Molecular Weight:
509.6187
IUPAC Name:
2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
InChI:
InChI=1S/C30H27N3O3S/c1-4-20-10-8-9-13-25(20)32-29(34)19-37-30-24(18-31)23(17-26(33-30)21-11-6-5-7-12-21)22-14-15-27(35-2)28(16-22)36-3/h5-17H,4,19H2,1-3H3,(H,32,34)
InChI Key:
MWZFTTVTVJAALX-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2CC)nc(cc1c1ccc(c(c1)OC)OC)c1ccccc1
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.177g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.624g/mol
Monoisotopic Mass:
509.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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