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1421372-94-2 | N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
CAS No: 1421372-94-2 Catalog No: AG0039NM MDL No:MFCD28167946
Product Description
Catalog Number:
AG0039NM
Chemical Name:
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
CAS Number:
1421372-94-2
Molecular Formula:
C20H16FN5O3
Molecular Weight:
393.3711
MDL Number:
MFCD28167946
IUPAC Name:
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
InChI:
InChI=1S/C20H16FN5O3/c1-25-11-13(12-5-3-4-6-17(12)25)15-7-8-22-20(23-15)24-16-10-18(26(27)28)14(21)9-19(16)29-2/h3-11H,1-2H3,(H,22,23,24)
InChI Key:
SZTYQQYYIMVETL-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.124g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.378g/mol
Monoisotopic Mass:
393.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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