Butanamide,N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-


Chemical Name: Butanamide,N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-
CAS Number: 334998-36-6
Product Number: AG00C90D(AGN-PC-0R90PM)
Synonyms:
MDL No:
Molecular Formula: C31H42N4O5
Molecular Weight: 550.6890

Identification/Properties


Properties
MP:
35-40°C
BP:
714.1±60.0 °C(Predicted)
Storage:
Keep in dry area;-10 ℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
550.7g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
550.316g/mol
Monoisotopic Mass:
550.316g/mol
Topological Polar Surface Area:
83.6A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
859
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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