2-Butynamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-


Chemical Name: 2-Butynamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-
CAS Number: 194423-06-8
Product Number: AG00ABJJ(AGN-PC-0JK6CJ)
Synonyms:
MDL No:
Molecular Formula: C18H13BrN4O
Molecular Weight: 381.2260

Identification/Properties


Computed Properties
Molecular Weight:
381.233g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
380.027g/mol
Monoisotopic Mass:
380.027g/mol
Topological Polar Surface Area:
66.9A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
514
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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