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Home > Nitro Compounds > 336180-25-7
336180-25-7 | 2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS No: 336180-25-7 Catalog No: AG01EVIF MDL No:
Product Description
Catalog Number:
AG01EVIF
Chemical Name:
2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS Number:
336180-25-7
Molecular Formula:
C17H14N4O5S
Molecular Weight:
386.3819
IUPAC Name:
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C17H14N4O5S/c1-10-6-7-11(8-13(10)21(24)25)18-15(23)9-27-17-20-19-16(26-17)12-4-2-3-5-14(12)22/h2-8,22H,9H2,1H3,(H,18,23)
InChI Key:
WPGKQDZDRVOOQO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(o1)c1ccccc1O
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.068g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.382g/mol
Monoisotopic Mass:
386.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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