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Home > Nitro Compounds > 337503-53-4
337503-53-4 | 2-[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 337503-53-4 Catalog No: AG01EVK5 MDL No:
Product Description
Catalog Number:
AG01EVK5
Chemical Name:
2-[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
337503-53-4
Molecular Formula:
C21H22N4O4S
Molecular Weight:
426.4888
IUPAC Name:
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C21H22N4O4S/c1-13-5-10-16(25(27)28)11-17(13)22-18(26)12-30-20-24-23-19(29-20)14-6-8-15(9-7-14)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,26)
InChI Key:
LYMQMKCPVZERPL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnc(o1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.491g/mol
Monoisotopic Mass:
426.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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