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Home > Nitro Compounds > 332161-76-9
332161-76-9 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS No: 332161-76-9 Catalog No: AG01EV6E MDL No:
Product Description
Catalog Number:
AG01EV6E
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS Number:
332161-76-9
Molecular Formula:
C28H22N4O4S
Molecular Weight:
510.5637
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O4S/c1-18-8-10-19(11-9-18)22-15-25(20-6-4-3-5-7-20)31-28(23(22)16-29)37-17-27(33)30-24-13-12-21(36-2)14-26(24)32(34)35/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
RCFVXPDRLLRUJA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)C)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:
6.3
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