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Home > Nitro Compounds > 89632-45-1
89632-45-1 | Acetamide, 2-(4-nitrophenoxy)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
CAS No: 89632-45-1 Catalog No: AG005ODW MDL No:
Product Description
Catalog Number:
AG005ODW
Chemical Name:
Acetamide, 2-(4-nitrophenoxy)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
CAS Number:
89632-45-1
Molecular Formula:
C22H16N4O5
Molecular Weight:
416.3862
IUPAC Name:
2-(4-nitrophenoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
InChI:
InChI=1S/C22H16N4O5/c27-20(14-31-17-12-10-16(11-13-17)26(29)30)24-25-21(15-6-2-1-3-7-15)23-19-9-5-4-8-18(19)22(25)28/h1-13H,14H2,(H,24,27)
InChI Key:
XFEIMXPKUAYTAL-UHFFFAOYSA-N
SMILES:
O=C(Nn1c(nc2c(c1=O)cccc2)c1ccccc1)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.112g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.393g/mol
Monoisotopic Mass:
416.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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