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Home > Fluorides > 848027-38-3
848027-38-3 | Benzeneacetamide,N-[2-ethyl-4-oxo-8-(trifluoromethoxy)-3(4H)-quinazolinyl]-4-fluoro-
CAS No: 848027-38-3 Catalog No: AG004QY0 MDL No:
Product Description
Catalog Number:
AG004QY0
Chemical Name:
Benzeneacetamide,N-[2-ethyl-4-oxo-8-(trifluoromethoxy)-3(4H)-quinazolinyl]-4-fluoro-
CAS Number:
848027-38-3
Molecular Formula:
C19H15F4N3O3
Molecular Weight:
409.3343
IUPAC Name:
N-[2-ethyl-4-oxo-8-(trifluoromethoxy)quinazolin-3-yl]-2-(4-fluorophenyl)acetamide
InChI:
InChI=1S/C19H15F4N3O3/c1-2-15-24-17-13(4-3-5-14(17)29-19(21,22)23)18(28)26(15)25-16(27)10-11-6-8-12(20)9-7-11/h3-9H,2,10H2,1H3,(H,25,27)
InChI Key:
YMKBJSGTKZYCKU-UHFFFAOYSA-N
SMILES:
CCc1nc2c(cccc2c(=O)n1NC(=O)Cc1ccc(cc1)F)OC(F)(F)F
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.105g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.341g/mol
Monoisotopic Mass:
409.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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