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71599-85-4 | 5-[4-(N-Allylcarbamoyl)phenylazo]-3-cyano-6-hydroxy-4-methyl-1-octyl-2(1H)-pyridone
CAS No: 71599-85-4 Catalog No: AG00FV43 MDL No:
Product Description
Catalog Number:
AG00FV43
Chemical Name:
5-[4-(N-Allylcarbamoyl)phenylazo]-3-cyano-6-hydroxy-4-methyl-1-octyl-2(1H)-pyridone
CAS Number:
71599-85-4
IUPAC Name:
4-[(5-cyano-6-hydroxy-4-methyl-1-octyl-2-oxopyridin-3-yl)diazenyl]-N-prop-2-enylbenzamide
InChI:
InChI=1S/C25H31N5O3/c1-4-6-7-8-9-10-16-30-24(32)21(17-26)18(3)22(25(30)33)29-28-20-13-11-19(12-14-20)23(31)27-15-5-2/h5,11-14,32H,2,4,6-10,15-16H2,1,3H3,(H,27,31)
InChI Key:
VTLDFWBWLGBDFV-UHFFFAOYSA-N
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.243g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
449.555g/mol
Monoisotopic Mass:
449.243g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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