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Home > Nitro Compounds > 332171-33-2
332171-33-2 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)-acetamide
CAS No: 332171-33-2 Catalog No: AG01EV75 MDL No:
Product Description
Catalog Number:
AG01EV75
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)-acetamide
CAS Number:
332171-33-2
Molecular Formula:
C28H22N4O4S
Molecular Weight:
510.5637
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O4S/c1-18-8-10-20(11-9-18)25-15-22(19-6-4-3-5-7-19)23(16-29)28(31-25)37-17-27(33)30-24-13-12-21(32(34)35)14-26(24)36-2/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
JFZARYQBVWLPQZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)CSc1nc(cc(c1C#N)c1ccccc1)c1ccc(cc1)C)[N+](=O)[O-]
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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