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Home > Nitro Compounds > 329212-10-4
329212-10-4 | 2-[3-Cyano-4,6-bis-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 329212-10-4 Catalog No: AG01EUYF MDL No:
Product Description
Catalog Number:
AG01EUYF
Chemical Name:
2-[3-Cyano-4,6-bis-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
329212-10-4
Molecular Formula:
C28H22N4O5S
Molecular Weight:
526.5631
IUPAC Name:
2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O5S/c1-36-22-11-3-18(4-12-22)24-15-26(19-5-13-23(37-2)14-6-19)31-28(25(24)16-29)38-17-27(33)30-20-7-9-21(10-8-20)32(34)35/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
IWBADETUORPCJG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])c(c(c1)c1ccc(cc1)OC)C#N
Properties
Complexity:
823
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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