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189757-40-2 | Acetamide, N-(4-cyano-1,3-diphenyl-1H-pyrazol-5-yl)-2-iodo-
CAS No: 189757-40-2 Catalog No: AG002DXP MDL No:
Product Description
Catalog Number:
AG002DXP
Chemical Name:
Acetamide, N-(4-cyano-1,3-diphenyl-1H-pyrazol-5-yl)-2-iodo-
CAS Number:
189757-40-2
Molecular Formula:
C18H13IN4O
Molecular Weight:
428.2265
IUPAC Name:
N-(4-cyano-2,5-diphenylpyrazol-3-yl)-2-iodoacetamide
InChI:
InChI=1S/C18H13IN4O/c19-11-16(24)21-18-15(12-20)17(13-7-3-1-4-8-13)22-23(18)14-9-5-2-6-10-14/h1-10H,11H2,(H,21,24)
InChI Key:
QDSJKOXHZMLDIX-UHFFFAOYSA-N
SMILES:
ICC(=O)Nc1c(C#N)c(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.013g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.233g/mol
Monoisotopic Mass:
428.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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