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832077-53-9 | Pyridine, 2-[2-[(8Z)-8-heptadecenylthio]-5-oxazolyl]-
CAS No: 832077-53-9 Catalog No: AG004VFD MDL No:
Product Description
Catalog Number:
AG004VFD
Chemical Name:
Pyridine, 2-[2-[(8Z)-8-heptadecenylthio]-5-oxazolyl]-
CAS Number:
832077-53-9
Molecular Formula:
C25H38N2OS
Molecular Weight:
414.6470
IUPAC Name:
2-heptadec-8-enylsulfanyl-5-pyridin-2-yl-1,3-oxazole
InChI:
InChI=1S/C25H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25-27-22-24(28-25)23-19-16-17-20-26-23/h9-10,16-17,19-20,22H,2-8,11-15,18,21H2,1H3
InChI Key:
ZXHZXXMFQLXDOK-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCSc1ncc(o1)c1ccccn1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.27g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.652g/mol
Monoisotopic Mass:
414.27g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.2
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