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727977-41-5 | 6-Bromo-2-(4-fluoro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine
CAS No: 727977-41-5 Catalog No: AG01EX6D MDL No:
Product Description
Catalog Number:
AG01EX6D
Chemical Name:
6-Bromo-2-(4-fluoro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine
CAS Number:
727977-41-5
Molecular Formula:
C18H18BrFN4
Molecular Weight:
389.2647
IUPAC Name:
6-bromo-2-(4-fluorophenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
InChI:
InChI=1S/C18H18BrFN4/c19-14-3-6-17-22-18(13-1-4-15(20)5-2-13)16(24(17)11-14)12-23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2
InChI Key:
GKIJLTIHDYFYGB-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(c1)c(CN1CCNCC1)c(n2)c1ccc(cc1)F
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.272g/mol
Monoisotopic Mass:
388.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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