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Home > Nitro Compounds > 332018-82-3
332018-82-3 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 332018-82-3 Catalog No: AG01EV0N MDL No:
Product Description
Catalog Number:
AG01EV0N
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
332018-82-3
Molecular Formula:
C28H22N4O4S
Molecular Weight:
510.5637
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O4S/c1-18-8-11-21(32(34)35)14-25(18)30-27(33)17-37-28-24(16-29)23(19-9-12-22(36-2)13-10-19)15-26(31-28)20-6-4-3-5-7-20/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
VQRQGQDVEIWEPG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.136g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
510.568g/mol
Monoisotopic Mass:
510.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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