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74675-52-8 | Ethanone, 1-(3-phenyl-4H-1,4-benzothiazin-2-yl)-
CAS No: 74675-52-8 Catalog No: AG005A6F MDL No:
Product Description
Catalog Number:
AG005A6F
Chemical Name:
Ethanone, 1-(3-phenyl-4H-1,4-benzothiazin-2-yl)-
CAS Number:
74675-52-8
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
1-(3-phenyl-4H-1,4-benzothiazin-2-yl)ethanone
InChI:
InChI=1S/C16H13NOS/c1-11(18)16-15(12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)19-16/h2-10,17H,1H3
InChI Key:
DGTFJERWSWLGBW-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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