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332910-55-1 | 4-Bromo-benzoic acid N'-{2-[5-(4-hydroxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CAS No: 332910-55-1 Catalog No: AG01F2LG MDL No:
Product Description
Catalog Number:
AG01F2LG
Chemical Name:
4-Bromo-benzoic acid N'-{2-[5-(4-hydroxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CAS Number:
332910-55-1
Molecular Formula:
C23H18BrN5O3S
Molecular Weight:
524.3897
IUPAC Name:
4-bromo-N'-[2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
InChI:
InChI=1S/C23H18BrN5O3S/c24-17-10-6-16(7-11-17)22(32)27-25-20(31)14-33-23-28-26-21(15-8-12-19(30)13-9-15)29(23)18-4-2-1-3-5-18/h1-13,30H,14H2,(H,25,31)(H,27,32)
InChI Key:
FQXHMIYTLAJPKW-UHFFFAOYSA-N
SMILES:
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)O)NNC(=O)c1ccc(cc1)Br
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.031g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
524.393g/mol
Monoisotopic Mass:
523.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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