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727652-16-6 | 2-(3,4-Dimethoxy-phenyl)-benzo[d]imidazo[2,1-b]-thiazole-3-carbaldehyde
CAS No: 727652-16-6 Catalog No: AG01EX5B MDL No:
Product Description
Catalog Number:
AG01EX5B
Chemical Name:
2-(3,4-Dimethoxy-phenyl)-benzo[d]imidazo[2,1-b]-thiazole-3-carbaldehyde
CAS Number:
727652-16-6
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
IUPAC Name:
2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C18H14N2O3S/c1-22-14-8-7-11(9-15(14)23-2)17-13(10-21)20-12-5-3-4-6-16(12)24-18(20)19-17/h3-10H,1-2H3
InChI Key:
OMLCPOXMDBFUFE-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1c1ccccc1s2)c1ccc(c(c1)OC)OC
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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