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Home > Fluorides > 557067-86-4
557067-86-4 | N-(3-Fluoro-phenyl)-2-(5-furan-2-yl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 557067-86-4 Catalog No: AG01F2UM MDL No:
Product Description
Catalog Number:
AG01F2UM
Chemical Name:
N-(3-Fluoro-phenyl)-2-(5-furan-2-yl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
557067-86-4
Molecular Formula:
C19H15FN4O3S
Molecular Weight:
398.4108
IUPAC Name:
N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C19H15FN4O3S/c20-13-4-1-5-14(10-13)21-17(25)12-28-19-23-22-18(16-7-3-9-27-16)24(19)11-15-6-2-8-26-15/h1-10H,11-12H2,(H,21,25)
InChI Key:
UAXDOZNKYKEYRH-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)F)CSc1nnc(n1Cc1ccco1)c1ccco1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.412g/mol
Monoisotopic Mass:
398.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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