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Home > Nitro Compounds > 332101-79-8
332101-79-8 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-4-nitro-phenyl)-acetamide
CAS No: 332101-79-8 Catalog No: AG01EV2N MDL No:
Product Description
Catalog Number:
AG01EV2N
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-4-nitro-phenyl)-acetamide
CAS Number:
332101-79-8
Molecular Formula:
C28H22N4O5S
Molecular Weight:
526.5631
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O5S/c1-36-21-11-8-18(9-12-21)22-15-25(19-6-4-3-5-7-19)31-28(23(22)16-29)38-17-27(33)30-24-13-10-20(32(34)35)14-26(24)37-2/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
KGQHFZYMAHCZHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1ccc(cc1OC)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.131g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
526.567g/mol
Monoisotopic Mass:
526.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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