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312279-30-4 | N-(4-Bromo-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 312279-30-4 Catalog No: AG01F3LZ MDL No:
Product Description
Catalog Number:
AG01F3LZ
Chemical Name:
N-(4-Bromo-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
312279-30-4
Molecular Formula:
C17H14BrN3O3S
Molecular Weight:
420.2804
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C17H14BrN3O3S/c1-23-14-8-2-11(3-9-14)16-20-21-17(24-16)25-10-15(22)19-13-6-4-12(18)5-7-13/h2-9H,10H2,1H3,(H,19,22)
InChI Key:
ZJGAIODQFVTJNC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.994g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.281g/mol
Monoisotopic Mass:
418.994g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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