4-[3-Oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperazine-1-carboxylic acid 3,5-dichlorobenzyl ester


Chemical Name: 4-[3-Oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperazine-1-carboxylic acid 3,5-dichlorobenzyl ester
CAS Number: 1144035-53-9
Product Number: AG000B8V(AGN-PC-0WA9UR)
Synonyms:
MDL No:
Molecular Formula: C22H21Cl2N3O5
Molecular Weight: 478.3252

Identification/Properties


Computed Properties
Molecular Weight:
478.326g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
477.086g/mol
Monoisotopic Mass:
477.086g/mol
Topological Polar Surface Area:
88.2A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
693
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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