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Home > Fluorides > 848027-54-3
848027-54-3 | Benzeneacetamide,3-fluoro-N-[4-oxo-2-propyl-8-(trifluoromethoxy)-3(4H)-quinazolinyl]-
CAS No: 848027-54-3 Catalog No: AG004XF8 MDL No:
Product Description
Catalog Number:
AG004XF8
Chemical Name:
Benzeneacetamide,3-fluoro-N-[4-oxo-2-propyl-8-(trifluoromethoxy)-3(4H)-quinazolinyl]-
CAS Number:
848027-54-3
Molecular Formula:
C20H17F4N3O3
Molecular Weight:
423.3609
IUPAC Name:
2-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethoxy)quinazolin-3-yl]acetamide
InChI:
InChI=1S/C20H17F4N3O3/c1-2-5-16-25-18-14(8-4-9-15(18)30-20(22,23)24)19(29)27(16)26-17(28)11-12-6-3-7-13(21)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,26,28)
InChI Key:
PWOQGTMUCKGFSD-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(cccc2c(=O)n1NC(=O)Cc1cccc(c1)F)OC(F)(F)F
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.121g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.368g/mol
Monoisotopic Mass:
423.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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