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140405-72-7 | Thiazolo[3,2-b][1,2,4]triazole, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS No: 140405-72-7 Catalog No: AG001CCJ MDL No:
Product Description
Catalog Number:
AG001CCJ
Chemical Name:
Thiazolo[3,2-b][1,2,4]triazole, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
140405-72-7
Molecular Formula:
C20H19N3O3S
Molecular Weight:
381.4482
IUPAC Name:
6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
InChI:
InChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-21-19(22-23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChI Key:
MNLHYAHBBSARTJ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nn2c(n1)scc2c1ccc(cc1)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.45g/mol
Monoisotopic Mass:
381.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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