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96314-87-3 | Oxazolo[4,5-c]quinoline, 2-(ethylthio)-7,9-dimethyl-
CAS No: 96314-87-3 Catalog No: AG005UV6 MDL No:
Product Description
Catalog Number:
AG005UV6
Chemical Name:
Oxazolo[4,5-c]quinoline, 2-(ethylthio)-7,9-dimethyl-
CAS Number:
96314-87-3
Molecular Formula:
C14H14N2OS
Molecular Weight:
258.3388
IUPAC Name:
2-ethylsulfanyl-7,9-dimethyl-[1,3]oxazolo[4,5-c]quinoline
InChI:
InChI=1S/C14H14N2OS/c1-4-18-14-16-11-7-15-10-6-8(2)5-9(3)12(10)13(11)17-14/h5-7H,4H2,1-3H3
InChI Key:
ZDRZORZUPTUUQF-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(o1)c1c(C)cc(cc1nc2)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.339g/mol
Monoisotopic Mass:
258.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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