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140424-03-9 | Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-
CAS No: 140424-03-9 Catalog No: AG001CF0 MDL No:
Product Description
Catalog Number:
AG001CF0
Chemical Name:
Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-
CAS Number:
140424-03-9
Molecular Formula:
C18H13N3O2S
Molecular Weight:
335.3797
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C18H13N3O2S/c1-11-2-4-12(5-3-11)14-9-24-18-20-19-17(21(14)18)13-6-7-15-16(8-13)23-10-22-15/h2-9H,10H2,1H3
InChI Key:
DZGDNVRYWXJYPT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1csc2n1c(nn2)c1ccc2c(c1)OCO2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.381g/mol
Monoisotopic Mass:
335.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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