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Home > Nitro Compounds > 332053-66-4
332053-66-4 | 4-(4-Methoxy-phenyl)-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-6-phenyl-nicotinonitrile
CAS No: 332053-66-4 Catalog No: AG01F38Q MDL No:
Product Description
Catalog Number:
AG01F38Q
Chemical Name:
4-(4-Methoxy-phenyl)-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-6-phenyl-nicotinonitrile
CAS Number:
332053-66-4
Molecular Formula:
C27H19N3O4S
Molecular Weight:
481.5225
IUPAC Name:
4-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C27H19N3O4S/c1-34-22-13-9-18(10-14-22)23-15-25(19-5-3-2-4-6-19)29-27(24(23)16-28)35-17-26(31)20-7-11-21(12-8-20)30(32)33/h2-15H,17H2,1H3
InChI Key:
GOSYQXPJJOVYCE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.11g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.526g/mol
Monoisotopic Mass:
481.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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