N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine


Chemical Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CAS Number: 379231-04-6
Product Number: AG0039PL(AGN-PC-0N27DH)
Synonyms:
MDL No:
Molecular Formula: C27H32ClN5O5
Molecular Weight: 542.0265

Identification/Properties


Computed Properties
Molecular Weight:
542.033g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
8
Exact Mass:
541.209g/mol
Monoisotopic Mass:
541.209g/mol
Topological Polar Surface Area:
90.4A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
743
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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