tert-butyl 2-(3-{[(benzyloxy)carbonyl]amino}-5-methyl-1H-pyrazol-1-yl)benzoate


Chemical Name: tert-butyl 2-(3-{[(benzyloxy)carbonyl]amino}-5-methyl-1H-pyrazol-1-yl)benzoate
CAS Number: 1261079-78-0
Product Number: AG00IZAZ(AGN-PC-0WAL8I)
Synonyms:
MDL No:
Molecular Formula: C23H25N3O4
Molecular Weight: 407.4623

Identification/Properties


Computed Properties
Molecular Weight:
407.47g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
407.185g/mol
Monoisotopic Mass:
407.185g/mol
Topological Polar Surface Area:
82.4A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
586
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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