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728864-97-9 | 2-(4-Nitro-phenyl)-3-piperazin-1-ylmethyl-imidazo-[1,2-a]pyridine
CAS No: 728864-97-9 Catalog No: AG01EX7E MDL No:
Product Description
Catalog Number:
AG01EX7E
Chemical Name:
2-(4-Nitro-phenyl)-3-piperazin-1-ylmethyl-imidazo-[1,2-a]pyridine
CAS Number:
728864-97-9
Molecular Formula:
C18H19N5O2
Molecular Weight:
337.3758
IUPAC Name:
2-(4-nitrophenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
InChI:
InChI=1S/C18H19N5O2/c24-23(25)15-6-4-14(5-7-15)18-16(13-21-11-8-19-9-12-21)22-10-2-1-3-17(22)20-18/h1-7,10,19H,8-9,11-13H2
InChI Key:
CRLZLWVMFFEEMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2n(c1CN1CCNCC1)cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.383g/mol
Monoisotopic Mass:
337.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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