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Home > Fluorides > 121845-84-9
121845-84-9 | Benzamide, N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e]-1,2,4-triazin-8-yl]-
CAS No: 121845-84-9 Catalog No: AG00164E MDL No:
Product Description
Catalog Number:
AG00164E
Chemical Name:
Benzamide, N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e]-1,2,4-triazin-8-yl]-
CAS Number:
121845-84-9
Molecular Formula:
C21H16FN5O
Molecular Weight:
373.3830
IUPAC Name:
N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl]benzamide
InChI:
InChI=1S/C21H16FN5O/c1-12-17-19(26-27-20(24-17)14-8-10-16(22)11-9-14)18(13(2)23-12)25-21(28)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28)
InChI Key:
MZAJNFCBMONLLR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2c(n1)c(C)nc(c2NC(=O)c1ccccc1)C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.134g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.391g/mol
Monoisotopic Mass:
373.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Pyrido[3,4-e]-1,2,4-triazines and related heterocycles as potential antifungal agents. | Journal of medicinal chemistry 19891101 |
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