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Home > Pyridines > 1421261-85-9
1421261-85-9 | 1,3-Bis[4-(4-pyridyl)-2-thiazolyl]benzene
CAS No: 1421261-85-9 Catalog No: AG01ETTD MDL No:MFCD22682999
Product Description
Catalog Number:
AG01ETTD
Chemical Name:
1,3-Bis[4-(4-pyridyl)-2-thiazolyl]benzene
CAS Number:
1421261-85-9
Molecular Formula:
C22H14N4S2
Molecular Weight:
398.5034
MDL Number:
MFCD22682999
IUPAC Name:
4-pyridin-4-yl-2-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
InChI:
InChI=1S/C22H14N4S2/c1-2-17(21-25-19(13-27-21)15-4-8-23-9-5-15)12-18(3-1)22-26-20(14-28-22)16-6-10-24-11-7-16/h1-14H
InChI Key:
BAIVNAOKZPUEIV-UHFFFAOYSA-N
SMILES:
c1cc(cc(c1)c1scc(n1)c1ccncc1)c1scc(n1)c1ccncc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.066g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.502g/mol
Monoisotopic Mass:
398.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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