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333311-59-4 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,4-dimethoxy-phenyl)-acetamide
CAS No: 333311-59-4 Catalog No: AG01EVE1 MDL No:
Product Description
Catalog Number:
AG01EVE1
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,4-dimethoxy-phenyl)-acetamide
CAS Number:
333311-59-4
Molecular Formula:
C18H16BrN3O4S
Molecular Weight:
450.3063
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C18H16BrN3O4S/c1-24-11-7-8-14(15(9-11)25-2)20-16(23)10-27-18-22-21-17(26-18)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,23)
InChI Key:
TZOLPDMBMUJTLI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1NC(=O)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.004g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.307g/mol
Monoisotopic Mass:
449.004g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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