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96314-84-0 | Oxazolo[4,5-c]quinoline, 9-methyl-2-[(phenylmethyl)thio]-
CAS No: 96314-84-0 Catalog No: AG006RZI MDL No:
Product Description
Catalog Number:
AG006RZI
Chemical Name:
Oxazolo[4,5-c]quinoline, 9-methyl-2-[(phenylmethyl)thio]-
CAS Number:
96314-84-0
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
IUPAC Name:
2-benzylsulfanyl-9-methyl-[1,3]oxazolo[4,5-c]quinoline
InChI:
InChI=1S/C18H14N2OS/c1-12-6-5-9-14-16(12)17-15(10-19-14)20-18(21-17)22-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI Key:
OROGIMLWASVJDS-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c1oc(nc1cn2)SCc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.383g/mol
Monoisotopic Mass:
306.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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