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140423-93-4 | Thiazolo[2,3-c]-1,2,4-triazole, 5-phenyl-3-(3,4,5-trimethoxyphenyl)-
CAS No: 140423-93-4 Catalog No: AG001CF6 MDL No:
Product Description
Catalog Number:
AG001CF6
Chemical Name:
Thiazolo[2,3-c]-1,2,4-triazole, 5-phenyl-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
140423-93-4
Molecular Formula:
C19H17N3O3S
Molecular Weight:
367.4216
IUPAC Name:
5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-20-21-19-22(18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChI Key:
TYSDIYQRWOBPSY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nnc2n1c(cs2)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.099g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.423g/mol
Monoisotopic Mass:
367.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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