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Home > Imidazoles > 34964-28-8
34964-28-8 | Pyridine, 2-[1H-imidazol-1-yl(4-phenoxyphenyl)phenylmethyl]-
CAS No: 34964-28-8 Catalog No: AG007GLZ MDL No:
Product Description
Catalog Number:
AG007GLZ
Chemical Name:
Pyridine, 2-[1H-imidazol-1-yl(4-phenoxyphenyl)phenylmethyl]-
CAS Number:
34964-28-8
Molecular Formula:
C27H21N3O
Molecular Weight:
403.4751
IUPAC Name:
2-[imidazol-1-yl-(4-phenoxyphenyl)-phenylmethyl]pyridine
InChI:
InChI=1S/C27H21N3O/c1-3-9-22(10-4-1)27(30-20-19-28-21-30,26-13-7-8-18-29-26)23-14-16-25(17-15-23)31-24-11-5-2-6-12-24/h1-21H
InChI Key:
SMODHBVRDUAQDB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc(cc1)C(c1ccccn1)(n1ccnc1)c1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.168g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.485g/mol
Monoisotopic Mass:
403.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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