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866623-20-3 | 1,3,4-Oxadiazole, 2-[[(4-ethenylphenyl)methyl]thio]-5-heptyl-
CAS No: 866623-20-3 Catalog No: AG004KXC MDL No:
Product Description
Catalog Number:
AG004KXC
Chemical Name:
1,3,4-Oxadiazole, 2-[[(4-ethenylphenyl)methyl]thio]-5-heptyl-
CAS Number:
866623-20-3
Molecular Formula:
C18H24N2OS
Molecular Weight:
316.4610
IUPAC Name:
2-[(4-ethenylphenyl)methylsulfanyl]-5-heptyl-1,3,4-oxadiazole
InChI:
InChI=1S/C18H24N2OS/c1-3-5-6-7-8-9-17-19-20-18(21-17)22-14-16-12-10-15(4-2)11-13-16/h4,10-13H,2-3,5-9,14H2,1H3
InChI Key:
FFVZLJABWPFECH-UHFFFAOYSA-N
SMILES:
CCCCCCCc1nnc(o1)SCc1ccc(cc1)C=C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.161g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.463g/mol
Monoisotopic Mass:
316.161g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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