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Home Nitriles 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile

CAS No.:
138401-24-8
Catalog Number:
AG0018QA
Molecular Formula:
C25H27N3O
Molecular Weight:
385.5014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$51
- +
1g
98%(HPLC)
In Stock USA
United States
$111
- +
5g
98%(HPLC)
In Stock USA
United States
$335
- +
Product Description
Catalog Number:
AG0018QA
Chemical Name:
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile
CAS Number:
138401-24-8
Molecular Formula:
C25H27N3O
Molecular Weight:
385.5014
MDL Number:
MFCD06658242
IUPAC Name:
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
InChI:
InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
InChI Key:
KWEQEHOPDHARIA-UHFFFAOYSA-N
SMILES:
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2
Properties
Complexity:
661  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.215g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.511g/mol
Monoisotopic Mass:
385.215g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Synthesis and screening for acetylcholinesterase inhibitor activity of some novel 2-butyl-1,3-diaza-spiro[4,4]non-1-en-4-ones: derivatives of irbesartan key intermediate. Bioorganic & medicinal chemistry 20071201
Properties