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332377-21-6 | N-(2-Bromo-4-nitro-phenyl)-2-[5-(3-hydroxy-naphthalen-2-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 332377-21-6 Catalog No: AG01F2Q0 MDL No:
Product Description
Catalog Number:
AG01F2Q0
Chemical Name:
N-(2-Bromo-4-nitro-phenyl)-2-[5-(3-hydroxy-naphthalen-2-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
332377-21-6
Molecular Formula:
C20H13BrN4O5S
Molecular Weight:
501.3100
IUPAC Name:
N-(2-bromo-4-nitrophenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C20H13BrN4O5S/c21-15-9-13(25(28)29)5-6-16(15)22-18(27)10-31-20-24-23-19(30-20)14-7-11-3-1-2-4-12(11)8-17(14)26/h1-9,26H,10H2,(H,22,27)
InChI Key:
PKAOEAIGCUJCHC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Br)[N+](=O)[O-])CSc1nnc(o1)c1cc2ccccc2cc1O
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.979g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
501.311g/mol
Monoisotopic Mass:
499.979g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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