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Home > Nitro Compounds > 332018-67-4
332018-67-4 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS No: 332018-67-4 Catalog No: AG01EV0K MDL No:
Product Description
Catalog Number:
AG01EV0K
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS Number:
332018-67-4
Molecular Formula:
C27H20N4O4S
Molecular Weight:
496.5371
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O4S/c1-35-22-12-10-18(11-13-22)23-15-25(19-6-3-2-4-7-19)30-27(24(23)16-28)36-17-26(32)29-20-8-5-9-21(14-20)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
PVSDIWFASFYUIS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.121g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.541g/mol
Monoisotopic Mass:
496.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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