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Home > Nitro Compounds > 332018-57-2
332018-57-2 | 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS No: 332018-57-2 Catalog No: AG01EV0I MDL No:
Product Description
Catalog Number:
AG01EV0I
Chemical Name:
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS Number:
332018-57-2
Molecular Formula:
C28H22N4O5S
Molecular Weight:
526.5631
IUPAC Name:
2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O5S/c1-36-25-12-11-19(13-26(25)37-2)22-15-24(18-7-4-3-5-8-18)31-28(23(22)16-29)38-17-27(33)30-20-9-6-10-21(14-20)32(34)35/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
LDTDIKAFMBRNEW-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nc(cc1c1ccc(c(c1)OC)OC)c1ccccc1
Properties
Complexity:
841
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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