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Home > Pyridines > 332101-06-1
332101-06-1 | 4-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-butyric acid ethyl ester
CAS No: 332101-06-1 Catalog No: AG01F3B6 MDL No:
Product Description
Catalog Number:
AG01F3B6
Chemical Name:
4-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-butyric acid ethyl ester
CAS Number:
332101-06-1
Molecular Formula:
C25H24N2O3S
Molecular Weight:
432.5347
IUPAC Name:
ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylbutanoate
InChI:
InChI=1S/C25H24N2O3S/c1-3-30-24(28)10-7-15-31-25-22(17-26)21(18-11-13-20(29-2)14-12-18)16-23(27-25)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3
InChI Key:
RRXWTYAEQMAJGE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.151g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.538g/mol
Monoisotopic Mass:
432.151g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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