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140424-02-8 | Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-
CAS No: 140424-02-8 Catalog No: AG001CF1 MDL No:
Product Description
Catalog Number:
AG001CF1
Chemical Name:
Thiazolo[2,3-c]-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-
CAS Number:
140424-02-8
Molecular Formula:
C17H10BrN3O2S
Molecular Weight:
400.2492
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C17H10BrN3O2S/c18-12-4-1-10(2-5-12)13-8-24-17-20-19-16(21(13)17)11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2
InChI Key:
WKZADNCMPQZEDO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc2n1c(nn2)c1ccc2c(c1)OCO2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.968g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.25g/mol
Monoisotopic Mass:
398.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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