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Home > Fluorides > 1245469-44-6
1245469-44-6 | 1H-Pyrazole, 4-[[3-(2-fluoro-6-methoxyphenoxy)-1-azetidinyl]methyl]-5-methyl-1-phenyl-
CAS No: 1245469-44-6 Catalog No: AG000M5V MDL No:
Product Description
Catalog Number:
AG000M5V
Chemical Name:
1H-Pyrazole, 4-[[3-(2-fluoro-6-methoxyphenoxy)-1-azetidinyl]methyl]-5-methyl-1-phenyl-
CAS Number:
1245469-44-6
Molecular Formula:
C21H22FN3O2
Molecular Weight:
367.4167
IUPAC Name:
4-[[3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl]methyl]-5-methyl-1-phenylpyrazole
InChI:
InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3
InChI Key:
GDTMZQXBYNLZHY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC1CN(C1)Cc1cnn(c1C)c1ccccc1)F
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.424g/mol
Monoisotopic Mass:
367.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Smoothened antagonists for hair inhibition. | Bioorganic & medicinal chemistry letters 20100815 |
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