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140405-73-8 | Thiazolo[3,2-b][1,2,4]triazole, 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS No: 140405-73-8 Catalog No: AG001CDM MDL No:
Product Description
Catalog Number:
AG001CDM
Chemical Name:
Thiazolo[3,2-b][1,2,4]triazole, 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
140405-73-8
Molecular Formula:
C20H19N3O4S
Molecular Weight:
397.4476
IUPAC Name:
6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
InChI:
InChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-28-20-21-19(22-23(15)20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChI Key:
FBAACQZYUBAHQX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc2n1nc(n2)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.449g/mol
Monoisotopic Mass:
397.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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