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77803-67-9 | Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one,2-(3,4,5-trimethoxyphenyl)-
CAS No: 77803-67-9 Catalog No: AG005F2D MDL No:
Product Description
Catalog Number:
AG005F2D
Chemical Name:
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one,2-(3,4,5-trimethoxyphenyl)-
CAS Number:
77803-67-9
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
InChI:
InChI=1S/C13H13N3O4S/c1-18-8-4-7(5-9(19-2)11(8)20-3)12-14-13-16(15-12)10(17)6-21-13/h4-5H,6H2,1-3H3
InChI Key:
ADAKONVVCZKISH-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nn2c(n1)SCC2=O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.324g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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