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Home > Pyridines > 174074-02-3
174074-02-3 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester
CAS No: 174074-02-3 Catalog No: AG01F4R1 MDL No:
Product Description
Catalog Number:
AG01F4R1
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester
CAS Number:
174074-02-3
Molecular Formula:
C25H22N2O4S
Molecular Weight:
446.5182
IUPAC Name:
diethyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanedioate
InChI:
InChI=1S/C25H22N2O4S/c1-3-30-24(28)22(25(29)31-4-2)32-23-20(16-26)19(17-11-7-5-8-12-17)15-21(27-23)18-13-9-6-10-14-18/h5-15,22H,3-4H2,1-2H3
InChI Key:
RHCIWIPVFLMZBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Sc1nc(cc(c1C#N)c1ccccc1)c1ccccc1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.13g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.521g/mol
Monoisotopic Mass:
446.13g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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