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Home > Nitro Compounds > 332867-77-3
332867-77-3 | 2-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-nitro-phenyl)-acetamide
CAS No: 332867-77-3 Catalog No: AG01EVB9 MDL No:
Product Description
Catalog Number:
AG01EVB9
Chemical Name:
2-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-nitro-phenyl)-acetamide
CAS Number:
332867-77-3
Molecular Formula:
C20H15N5O4S
Molecular Weight:
421.4292
IUPAC Name:
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
InChI:
InChI=1S/C20H15N5O4S/c26-18(21-15-9-4-5-10-16(15)25(27)28)13-30-20-23-22-19(17-11-6-12-29-17)24(20)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,26)
InChI Key:
ZALRTEQKCKQROC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1ccco1
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.431g/mol
Monoisotopic Mass:
421.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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