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89004-14-8 | Imidazo[1,2-b]cinnoline, 5,5a,6,7,8,9,9a,10-octahydro-2,3-diphenyl-
CAS No: 89004-14-8 Catalog No: AG00451X MDL No:
Product Description
Catalog Number:
AG00451X
Chemical Name:
Imidazo[1,2-b]cinnoline, 5,5a,6,7,8,9,9a,10-octahydro-2,3-diphenyl-
CAS Number:
89004-14-8
Molecular Formula:
C22H23N3
Molecular Weight:
329.4381
IUPAC Name:
2,3-diphenyl-5,5a,6,7,8,9,9a,10-octahydroimidazo[1,2-b]cinnoline
InChI:
InChI=1S/C22H23N3/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/h1-6,9-12,18-19,24H,7-8,13-15H2
InChI Key:
GIVGNIZVWDKUHX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c(nc2n1NC1CCCCC1C2)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.447g/mol
Monoisotopic Mass:
329.189g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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