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128831-46-9 | Urea, N-[4-(2-chlorophenyl)-6,7-dimethyl-3-quinolinyl]-N'-(2,4-difluorophenyl)-
CAS No: 128831-46-9 Catalog No: AG000YF7 MDL No:
Product Description
Catalog Number:
AG000YF7
Chemical Name:
Urea, N-[4-(2-chlorophenyl)-6,7-dimethyl-3-quinolinyl]-N'-(2,4-difluorophenyl)-
CAS Number:
128831-46-9
Molecular Formula:
C24H18ClF2N3O
Molecular Weight:
437.8690
IUPAC Name:
1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
InChI:
InChI=1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
InChI Key:
FFKNNBNIAHVVCU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc2c(c1c1ccccc1Cl)cc(c(c2)C)C)Nc1ccc(cc1F)F
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.111g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.875g/mol
Monoisotopic Mass:
437.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Cholesterol esterification reduces the neurotoxicity of prions. | Neuropharmacology 20080601 |
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