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Home > Fluorides > 518350-16-8
518350-16-8 | 2-Cyano-3-[5-(4-fluorophenyl)-2-furanyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-propenamide
CAS No: 518350-16-8 Catalog No: AG01EWBD MDL No:
Product Description
Catalog Number:
AG01EWBD
Chemical Name:
2-Cyano-3-[5-(4-fluorophenyl)-2-furanyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-propenamide
CAS Number:
518350-16-8
Molecular Formula:
C19H16FNO4S
Molecular Weight:
373.3980
IUPAC Name:
(2E)-N-(1,1-dioxothiolan-3-yl)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]but-3-ynamide
InChI:
InChI=1S/C19H16FNO4S/c1-2-13(19(22)21-16-9-10-26(23,24)12-16)11-17-7-8-18(25-17)14-3-5-15(20)6-4-14/h1,3-8,11,16H,9-10,12H2,(H,21,22)/b13-11+
InChI Key:
AUHXPFPBEPEGIE-ACCUITESSA-N
SMILES:
C#C/C(=C\c1ccc(o1)c1ccc(cc1)F)/C(=O)NC1CCS(=O)(=O)C1
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
373.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.398g/mol
Monoisotopic Mass:
373.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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