L-Glutamic acid,N-[[5-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-


Chemical Name: L-Glutamic acid,N-[[5-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-
CAS Number: 112887-68-0
Product Number: AG0038YQ(AGN-PC-0P43V7)
Synonyms:
MDL No: MFCD00864168
Molecular Formula: C21H22N4O6S
Molecular Weight: 458.4876

Identification/Properties


Computed Properties
Molecular Weight:
458.489g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
9
Exact Mass:
458.126g/mol
Monoisotopic Mass:
458.126g/mol
Topological Polar Surface Area:
177A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
790
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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