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88136-86-1 | 4H-1,3-Thiazin-4-one, 6-(phenylmethyl)-2-(2-pyridinyl)-
CAS No: 88136-86-1 Catalog No: AG004DGR MDL No:
Product Description
Catalog Number:
AG004DGR
Chemical Name:
4H-1,3-Thiazin-4-one, 6-(phenylmethyl)-2-(2-pyridinyl)-
CAS Number:
88136-86-1
Molecular Formula:
C16H12N2OS
Molecular Weight:
280.3443
IUPAC Name:
6-benzyl-2-pyridin-2-yl-1,3-thiazin-4-one
InChI:
InChI=1S/C16H12N2OS/c19-15-11-13(10-12-6-2-1-3-7-12)20-16(18-15)14-8-4-5-9-17-14/h1-9,11H,10H2
InChI Key:
RPGFDXJSKSQNOD-UHFFFAOYSA-N
SMILES:
O=c1cc(Cc2ccccc2)sc(n1)c1ccccn1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.345g/mol
Monoisotopic Mass:
280.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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