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121740-56-5 | 1,4,2-Oxathiazine, 6-phenyl-3-(1-piperidinyl)-
CAS No: 121740-56-5 Catalog No: AG0015OG MDL No:
Product Description
Catalog Number:
AG0015OG
Chemical Name:
1,4,2-Oxathiazine, 6-phenyl-3-(1-piperidinyl)-
CAS Number:
121740-56-5
Molecular Formula:
C14H16N2OS
Molecular Weight:
260.3546
IUPAC Name:
6-phenyl-3-piperidin-1-yl-1,4,2-oxathiazine
InChI:
InChI=1S/C14H16N2OS/c1-3-7-12(8-4-1)13-11-18-14(15-17-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
IMPXMFDVMSXEEA-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)C1=NOC(=CS1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.355g/mol
Monoisotopic Mass:
260.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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