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337498-59-6 | N-(2-Bromo-4-methyl-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 337498-59-6 Catalog No: AG01F30S MDL No:
Product Description
Catalog Number:
AG01F30S
Chemical Name:
N-(2-Bromo-4-methyl-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
337498-59-6
Molecular Formula:
C18H16BrN3O3S
Molecular Weight:
434.3069
IUPAC Name:
N-(2-bromo-4-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C18H16BrN3O3S/c1-11-3-8-15(14(19)9-11)20-16(23)10-26-18-22-21-17(25-18)12-4-6-13(24-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)
InChI Key:
XZUHVFFWQWXQNR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)SCC(=O)Nc1ccc(cc1Br)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.01g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.308g/mol
Monoisotopic Mass:
433.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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