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89004-12-6 | Imidazo[1,2-b]cinnoline, 6,7,8,9,9a,10-hexahydro-2,3-diphenyl-
CAS No: 89004-12-6 Catalog No: AG0088VM MDL No:
Product Description
Catalog Number:
AG0088VM
Chemical Name:
Imidazo[1,2-b]cinnoline, 6,7,8,9,9a,10-hexahydro-2,3-diphenyl-
CAS Number:
89004-12-6
Molecular Formula:
C22H21N3
Molecular Weight:
327.4222
IUPAC Name:
2,3-diphenyl-6,7,8,9,9a,10-hexahydroimidazo[1,2-b]cinnoline
InChI:
InChI=1S/C22H21N3/c1-3-9-16(10-4-1)21-22(17-11-5-2-6-12-17)25-20(23-21)15-18-13-7-8-14-19(18)24-25/h1-6,9-12,18H,7-8,13-15H2
InChI Key:
AIINKUASACJMCW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c(nc2n1N=C1CCCCC1C2)c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.431g/mol
Monoisotopic Mass:
327.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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