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823801-93-0 | 4H-1,4-Benzothiazine, 4-acetyl-2-(4-methoxyphenyl)-
CAS No: 823801-93-0 Catalog No: AG004Y2S MDL No:
Product Description
Catalog Number:
AG004Y2S
Chemical Name:
4H-1,4-Benzothiazine, 4-acetyl-2-(4-methoxyphenyl)-
CAS Number:
823801-93-0
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
1-[2-(4-methoxyphenyl)-1,4-benzothiazin-4-yl]ethanone
InChI:
InChI=1S/C17H15NO2S/c1-12(19)18-11-17(13-7-9-14(20-2)10-8-13)21-16-6-4-3-5-15(16)18/h3-11H,1-2H3
InChI Key:
KCUAYZFGJDAVAD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=CN(c2c(S1)cccc2)C(=O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.372g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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