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36881-73-9 | 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS No: 36881-73-9 Catalog No: AG00IWKG MDL No:MFCD01569183
Product Description
Catalog Number:
AG00IWKG
Chemical Name:
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS Number:
36881-73-9
Molecular Formula:
C17H16N2O4S
Molecular Weight:
344.3849
MDL Number:
MFCD01569183
IUPAC Name:
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
InChI:
InChI=1S/C17H16N2O4S/c1-11-7-9-12(10-8-11)18-17(21)16-15(20)13-5-3-4-6-14(13)19(2)24(16,22)23/h3-10,20H,1-2H3,(H,18,21)
InChI Key:
MSPKJIJLGHFXSR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)C1=C(O)c2ccccc2N(S1(=O)=O)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.385g/mol
Monoisotopic Mass:
344.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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