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Home > Fluorides > 332907-34-3
332907-34-3 | 2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CAS No: 332907-34-3 Catalog No: AG01EVC1 MDL No:
Product Description
Catalog Number:
AG01EVC1
Chemical Name:
2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CAS Number:
332907-34-3
Molecular Formula:
C23H19FN4OS
Molecular Weight:
418.4866
IUPAC Name:
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
InChI:
InChI=1S/C23H19FN4OS/c24-18-11-13-19(14-12-18)25-22(29)16-30-23-27-26-21(15-17-7-3-1-4-8-17)28(23)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)
InChI Key:
JKMQGPBPQLKMCD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccccc1)Cc1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.49g/mol
Monoisotopic Mass:
418.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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