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Home > Fluorides > 956691-12-6
956691-12-6 | (2E)-3-[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CAS No: 956691-12-6 Catalog No: AG01F06K MDL No:MFCD03461585
Product Description
Catalog Number:
AG01F06K
Chemical Name:
(2E)-3-[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CAS Number:
956691-12-6
Molecular Formula:
C24H19FN4O
Molecular Weight:
398.4323
MDL Number:
MFCD03461585
IUPAC Name:
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
InChI:
InChI=1S/C24H19FN4O/c25-21-11-8-19(9-12-21)24-20(17-29(28-24)22-6-2-1-3-7-22)10-13-23(30)27-16-18-5-4-14-26-15-18/h1-15,17H,16H2,(H,27,30)/b13-10+
InChI Key:
IMVBXUCNVVHFSW-JLHYYAGUSA-N
SMILES:
O=C(/C=C/c1cn(nc1c1ccc(cc1)F)c1ccccc1)NCc1cccnc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
398.154g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.441g/mol
Monoisotopic Mass:
398.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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