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88955-02-6 | Methanone, [4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]-2-thienyl-
CAS No: 88955-02-6 Catalog No: AG0046SW MDL No:
Product Description
Catalog Number:
AG0046SW
Chemical Name:
Methanone, [4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]-2-thienyl-
CAS Number:
88955-02-6
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]-thiophen-2-ylmethanone
InChI:
InChI=1S/C16H14N2O2S/c1-10(16-17-11(2)18-20-16)12-5-7-13(8-6-12)15(19)14-4-3-9-21-14/h3-10H,1-2H3
InChI Key:
QBWZSYLKMCZSDE-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)C(c1ccc(cc1)C(=O)c1cccs1)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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