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727652-19-9 | 2-Biphenyl-4-yl-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS No: 727652-19-9 Catalog No: AG01EX5E MDL No:
Product Description
Catalog Number:
AG01EX5E
Chemical Name:
2-Biphenyl-4-yl-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS Number:
727652-19-9
Molecular Formula:
C22H14N2OS
Molecular Weight:
354.4244
IUPAC Name:
2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C22H14N2OS/c25-14-19-21(23-22-24(19)18-8-4-5-9-20(18)26-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChI Key:
JIEUPXTZOPMAEP-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1c1ccccc1s2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.427g/mol
Monoisotopic Mass:
354.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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