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144437-22-9 | Imidazo[4,5-d]imidazole, octahydro-1,3,4,6-tetrakis(phenylmethyl)-, cis-
CAS No: 144437-22-9 Catalog No: AG001JIY MDL No:
Product Description
Catalog Number:
AG001JIY
Chemical Name:
Imidazo[4,5-d]imidazole, octahydro-1,3,4,6-tetrakis(phenylmethyl)-, cis-
CAS Number:
144437-22-9
Molecular Formula:
C32H34N4
Molecular Weight:
474.6392
IUPAC Name:
1,3,4,6-tetrabenzyl-2,3a,5,6a-tetrahydroimidazo[4,5-d]imidazole
InChI:
InChI=1S/C32H34N4/c1-5-13-27(14-6-1)21-33-25-34(22-28-15-7-2-8-16-28)32-31(33)35(23-29-17-9-3-10-18-29)26-36(32)24-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2
InChI Key:
OTMSHYNJUAEKHY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CN([C@@H]2[C@H]1N(CN2Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.278g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.652g/mol
Monoisotopic Mass:
474.278g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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