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332154-91-3 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-methoxy-4-nitro-phenyl)-acetamide
CAS No: 332154-91-3 Catalog No: AG01EV4L MDL No:
Product Description
Catalog Number:
AG01EV4L
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-methoxy-4-nitro-phenyl)-acetamide
CAS Number:
332154-91-3
Molecular Formula:
C17H13BrN4O5S
Molecular Weight:
465.2779
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxy-4-nitrophenyl)acetamide
InChI:
InChI=1S/C17H13BrN4O5S/c1-26-14-8-10(6-7-13(14)22(24)25)19-15(23)9-28-17-21-20-16(27-17)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,23)
InChI Key:
KOJYFYVFYQBCAN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])NC(=O)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.979g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.278g/mol
Monoisotopic Mass:
463.979g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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