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832077-58-4 | Oxazole, 5-(3-furanyl)-2-[(6-phenylhexyl)thio]-
CAS No: 832077-58-4 Catalog No: AG005978 MDL No:
Product Description
Catalog Number:
AG005978
Chemical Name:
Oxazole, 5-(3-furanyl)-2-[(6-phenylhexyl)thio]-
CAS Number:
832077-58-4
Molecular Formula:
C19H21NO2S
Molecular Weight:
327.4405
IUPAC Name:
5-(furan-3-yl)-2-(6-phenylhexylsulfanyl)-1,3-oxazole
InChI:
InChI=1S/C19H21NO2S/c1(4-8-16-9-5-3-6-10-16)2-7-13-23-19-20-14-18(22-19)17-11-12-21-15-17/h3,5-6,9-12,14-15H,1-2,4,7-8,13H2
InChI Key:
NVLKNNLIOCUZGH-UHFFFAOYSA-N
SMILES:
C(CCSc1ncc(o1)c1cocc1)CCCc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.442g/mol
Monoisotopic Mass:
327.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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