2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]-1,4-dihydroquinazoline;trihydrochloride


Chemical Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]-1,4-dihydroquinazoline;trihydrochloride
CAS Number: 23491-52-3
Product Number: AG002NEM(AGN-PC-00UMJ2)
Synonyms:
MDL No: MFCD00012678
Molecular Formula: C27H28N6O
Molecular Weight: 452.5508

Identification/Properties


Computed Properties
Molecular Weight:
452.562g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
452.232g/mol
Monoisotopic Mass:
452.232g/mol
Topological Polar Surface Area:
73.1A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
664
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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