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Home > Pyridines > 332100-37-5
332100-37-5 | 3-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-propionic acid ethyl ester
CAS No: 332100-37-5 Catalog No: AG01EV1U MDL No:
Product Description
Catalog Number:
AG01EV1U
Chemical Name:
3-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-propionic acid ethyl ester
CAS Number:
332100-37-5
Molecular Formula:
C25H24N2O3S
Molecular Weight:
432.5347
IUPAC Name:
ethyl 3-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoate
InChI:
InChI=1S/C25H24N2O3S/c1-4-30-24(28)13-14-31-25-22(16-26)21(18-9-11-20(29-3)12-10-18)15-23(27-25)19-7-5-17(2)6-8-19/h5-12,15H,4,13-14H2,1-3H3
InChI Key:
FMRRZXRRQDQSFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1ccc(cc1)C
Properties
Complexity:
605
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:
9
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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