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311783-85-4 | 2-({[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1H-benzimidazole
CAS No: 311783-85-4 Catalog No: AG00I5U8 MDL No:
Product Description
Catalog Number:
AG00I5U8
Chemical Name:
2-({[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1H-benzimidazole
CAS Number:
311783-85-4
IUPAC Name:
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
InChI:
InChI=1S/C24H21N5O2S/c1-30-20-13-12-16(14-21(20)31-2)23-27-28-24(29(23)17-8-4-3-5-9-17)32-15-22-25-18-10-6-7-11-19(18)26-22/h3-14H,15H2,1-2H3,(H,25,26)
InChI Key:
NNLBBWNDZJBJHF-UHFFFAOYSA-N
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.142g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.525g/mol
Monoisotopic Mass:
443.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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