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72362-98-2 | 5-[4-(N-Allylcarbamoyl)phenylazo]-3-cyano-1-hexyl-6-hydroxy-4-methyl-2(1H)-pyridone
CAS No: 72362-98-2 Catalog No: AG00FVJ1 MDL No:
Product Description
Catalog Number:
AG00FVJ1
Chemical Name:
5-[4-(N-Allylcarbamoyl)phenylazo]-3-cyano-1-hexyl-6-hydroxy-4-methyl-2(1H)-pyridone
CAS Number:
72362-98-2
IUPAC Name:
4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-N-prop-2-enylbenzamide
InChI:
InChI=1S/C23H31N5O3/c1-4-6-7-8-14-28-22(30)19(15-24)16(3)20(23(28)31)27-26-18-11-9-17(10-12-18)21(29)25-13-5-2/h5,9-12,16,19-20,23,31H,2,4,6-8,13-14H2,1,3H3,(H,25,29)/t16-,19+,20+,23+/m1/s1
InChI Key:
FZZPUHMCWIQHCP-LLPLAXKASA-N
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
425.243g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.533g/mol
Monoisotopic Mass:
425.243g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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