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864685-18-7 | Methanone,1-isoquinolinyl-4-thiomorpholinyl-
CAS No: 864685-18-7 Catalog No: AG004MZC MDL No:
Product Description
Catalog Number:
AG004MZC
Chemical Name:
Methanone,1-isoquinolinyl-4-thiomorpholinyl-
CAS Number:
864685-18-7
Molecular Formula:
C14H14N2OS
Molecular Weight:
258.3388
IUPAC Name:
isoquinolin-1-yl(thiomorpholin-4-yl)methanone
InChI:
InChI=1S/C14H14N2OS/c17-14(16-7-9-18-10-8-16)13-12-4-2-1-3-11(12)5-6-15-13/h1-6H,7-10H2
InChI Key:
CUCWWPQIMFNADH-UHFFFAOYSA-N
SMILES:
O=C(c1nccc2c1cccc2)N1CCSCC1
Properties
Complexity:
304
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.339g/mol
Monoisotopic Mass:
258.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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