4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one


Chemical Name: 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
CAS Number: 79538-90-2
Product Number: AG00G585(AGN-PC-003UW0)
Synonyms:
MDL No:
Molecular Formula: C18H19N5O2
Molecular Weight: 337.37576

Identification/Properties


Computed Properties
Molecular Weight:
337.383g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
337.154g/mol
Monoisotopic Mass:
337.154g/mol
Topological Polar Surface Area:
71.4A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
490
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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