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18963-37-6 | 2H-1,2-Benzothiazine, 2,7-dimethyl-3-phenyl-, 1,1-dioxide
CAS No: 18963-37-6 Catalog No: AG002DUJ MDL No:
Product Description
Catalog Number:
AG002DUJ
Chemical Name:
2H-1,2-Benzothiazine, 2,7-dimethyl-3-phenyl-, 1,1-dioxide
CAS Number:
18963-37-6
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
2,7-dimethyl-3-phenyl-1λ6,2-benzothiazine 1,1-dioxide
InChI:
InChI=1S/C16H15NO2S/c1-12-8-9-14-11-15(13-6-4-3-5-7-13)17(2)20(18,19)16(14)10-12/h3-11H,1-2H3
InChI Key:
HUYLTSREZPJWBJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)S(=O)(=O)N(C(=C2)c1ccccc1)C
NSC Number:
117897
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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