2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl acetate


Chemical Name: 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl acetate
CAS Number: 183320-15-2
Product Number: AG0027I2(AGN-PC-00S2QL)
Synonyms:
MDL No: MFCD09840372
Molecular Formula: C23H23N3O5
Molecular Weight: 421.4458

Identification/Properties


Computed Properties
Molecular Weight:
421.453g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
12
Exact Mass:
421.164g/mol
Monoisotopic Mass:
421.164g/mol
Topological Polar Surface Area:
91.8A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
609
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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