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Home > Nitro Compounds > 337498-65-4
337498-65-4 | 2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 337498-65-4 Catalog No: AG01EVJO MDL No:
Product Description
Catalog Number:
AG01EVJO
Chemical Name:
2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
337498-65-4
Molecular Formula:
C18H16N4O5S
Molecular Weight:
400.4084
IUPAC Name:
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C18H16N4O5S/c1-11-3-6-13(22(24)25)9-15(11)19-16(23)10-28-18-21-20-17(27-18)12-4-7-14(26-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,23)
InChI Key:
APICFTQVBWHMOV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)SCC(=O)Nc1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.084g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.409g/mol
Monoisotopic Mass:
400.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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