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36881-68-2 | 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS No: 36881-68-2 Catalog No: AG00IQIO MDL No:MFCD01569178
Product Description
Catalog Number:
AG00IQIO
Chemical Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS Number:
36881-68-2
Molecular Formula:
C16H14N2O4S
Molecular Weight:
330.3584
MDL Number:
MFCD01569178
IUPAC Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
InChI:
InChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,20)
InChI Key:
CLKKWQOKQDVKQN-UHFFFAOYSA-N
SMILES:
O=C(C1=C(O)c2ccccc2N(S1(=O)=O)C)Nc1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.358g/mol
Monoisotopic Mass:
330.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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