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Home > Pyridines > 333777-95-0
333777-95-0 | Benzoic acid N'-{2-[3-cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-acetyl}-hydrazide
CAS No: 333777-95-0 Catalog No: AG01F2SZ MDL No:
Product Description
Catalog Number:
AG01F2SZ
Chemical Name:
Benzoic acid N'-{2-[3-cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-acetyl}-hydrazide
CAS Number:
333777-95-0
Molecular Formula:
C28H22N4O3S
Molecular Weight:
494.5643
IUPAC Name:
N'-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]benzohydrazide
InChI:
InChI=1S/C28H22N4O3S/c1-35-22-14-12-19(13-15-22)23-16-25(20-8-4-2-5-9-20)30-28(24(23)17-29)36-18-26(33)31-32-27(34)21-10-6-3-7-11-21/h2-16H,18H2,1H3,(H,31,33)(H,32,34)
InChI Key:
BLALUEOJDBKLCF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)NNC(=O)c1ccccc1)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:
494.141g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.569g/mol
Monoisotopic Mass:
494.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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