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727976-05-8 | 6-Methyl-2-(4-nitro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine
CAS No: 727976-05-8 Catalog No: AG01EX68 MDL No:
Product Description
Catalog Number:
AG01EX68
Chemical Name:
6-Methyl-2-(4-nitro-phenyl)-3-piperazin-1-ylmethyl-imidazo[1,2-a]pyridine
CAS Number:
727976-05-8
Molecular Formula:
C19H21N5O2
Molecular Weight:
351.4023
IUPAC Name:
6-methyl-2-(4-nitrophenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
InChI:
InChI=1S/C19H21N5O2/c1-14-2-7-18-21-19(15-3-5-16(6-4-15)24(25)26)17(23(18)12-14)13-22-10-8-20-9-11-22/h2-7,12,20H,8-11,13H2,1H3
InChI Key:
KDYSUAXJDWILEU-UHFFFAOYSA-N
SMILES:
Cc1ccc2n(c1)c(CN1CCNCC1)c(n2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.41g/mol
Monoisotopic Mass:
351.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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