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332018-55-0 | 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS No: 332018-55-0 Catalog No: AG01EV0G MDL No:
Product Description
Catalog Number:
AG01EV0G
Chemical Name:
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS Number:
332018-55-0
Molecular Formula:
C28H23N3O3S
Molecular Weight:
481.5655
IUPAC Name:
2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C28H23N3O3S/c1-33-25-14-13-20(15-26(25)34-2)22-16-24(19-9-5-3-6-10-19)31-28(23(22)17-29)35-18-27(32)30-21-11-7-4-8-12-21/h3-16H,18H2,1-2H3,(H,30,32)
InChI Key:
NAWKTVGTWQLSSI-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccc(c(c1)OC)OC)c1ccccc1
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.146g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
481.57g/mol
Monoisotopic Mass:
481.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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