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83170-55-2 | 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(phenylmethyl)-
CAS No: 83170-55-2 Catalog No: AG0050DW MDL No:
Product Description
Catalog Number:
AG0050DW
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(phenylmethyl)-
CAS Number:
83170-55-2
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
2-benzyl-4-methyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C16H15NOS/c1-17-13-9-5-6-10-14(13)19-15(16(17)18)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChI Key:
KCGJTSWFROCHDU-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)Sc2c(N1C)cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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