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Home > Imidazoles > 168626-71-9
168626-71-9 | Methanone, (4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)-
CAS No: 168626-71-9 Catalog No: AG001Y6J MDL No:MFCD12407416
Product Description
Catalog Number:
AG001Y6J
Chemical Name:
Methanone, (4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)-
CAS Number:
168626-71-9
Molecular Formula:
C19H16N4O3
Molecular Weight:
348.3553
MDL Number:
MFCD12407416
IUPAC Name:
(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C19H16N4O3/c1-12-20-16-10-11-22(17-5-3-2-4-15(17)18(16)21-12)19(24)13-6-8-14(9-7-13)23(25)26/h2-9H,10-11H2,1H3,(H,20,21)
InChI Key:
GKKPPENORPTEJV-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.122g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.362g/mol
Monoisotopic Mass:
348.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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