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140424-00-6 | Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-phenyl-
CAS No: 140424-00-6 Catalog No: AG001CF2 MDL No:
Product Description
Catalog Number:
AG001CF2
Chemical Name:
Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-phenyl-
CAS Number:
140424-00-6
Molecular Formula:
C17H11N3O2S
Molecular Weight:
321.3531
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C17H11N3O2S/c1-2-4-11(5-3-1)13-9-23-17-19-18-16(20(13)17)12-6-7-14-15(8-12)22-10-21-14/h1-9H,10H2
InChI Key:
OEEQRKHSZJGGEI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1csc2n1c(nn2)c1ccc2c(c1)OCO2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.354g/mol
Monoisotopic Mass:
321.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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