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720667-78-7 | 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CAS No: 720667-78-7 Catalog No: AG01FOQD MDL No:
Product Description
Catalog Number:
AG01FOQD
Chemical Name:
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CAS Number:
720667-78-7
IUPAC Name:
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
InChI:
InChI=1S/C25H24N4O2S/c1-18-13-14-22(31-2)21(15-18)26-24(30)17-32-25-28-27-23(16-19-9-5-3-6-10-19)29(25)20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,26,30)
InChI Key:
VKZSLFOXUDARDG-UHFFFAOYSA-N
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.162g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.553g/mol
Monoisotopic Mass:
444.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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