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Home > Imidazoles > 816463-37-3
816463-37-3 | 8-(benzyloxy)-2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinoline
CAS No: 816463-37-3 Catalog No: AG00GAGL MDL No:MFCD12973805
Product Description
Catalog Number:
AG00GAGL
Chemical Name:
8-(benzyloxy)-2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinoline
CAS Number:
816463-37-3
Molecular Formula:
C27H25N3O5
Molecular Weight:
471.5045
MDL Number:
MFCD12973805
IUPAC Name:
N-[4-[(3-methyloxetan-3-yl)methoxy]-2-nitrophenyl]-8-phenylmethoxyquinolin-2-amine
InChI:
InChI=1S/C27H25N3O5/c1-27(16-33-17-27)18-35-21-11-12-22(23(14-21)30(31)32)28-25-13-10-20-8-5-9-24(26(20)29-25)34-15-19-6-3-2-4-7-19/h2-14H,15-18H2,1H3,(H,28,29)
InChI Key:
DZXWNUQNMRNACR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCC2(C)COC2)ccc1N=c1ccc2c([nH]1)c(ccc2)OCc1ccccc1
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.179g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
471.513g/mol
Monoisotopic Mass:
471.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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