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320423-84-5 | N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS No: 320423-84-5 Catalog No: AG00IO3X MDL No:MFCD01569184
Product Description
Catalog Number:
AG00IO3X
Chemical Name:
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS Number:
320423-84-5
Molecular Formula:
C18H18N2O4S
Molecular Weight:
358.4115
MDL Number:
MFCD01569184
IUPAC Name:
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
InChI:
InChI=1S/C18H18N2O4S/c1-11-7-6-8-12(2)15(11)19-18(22)17-16(21)13-9-4-5-10-14(13)20(3)25(17,23)24/h4-10,21H,1-3H3,(H,19,22)
InChI Key:
VUABFGVETJDZDF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1NC(=O)C1=C(O)c2ccccc2N(S1(=O)=O)C)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.412g/mol
Monoisotopic Mass:
358.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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