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303987-70-4 | 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS No: 303987-70-4 Catalog No: AG00ING8 MDL No:MFCD00111539
Product Description
Catalog Number:
AG00ING8
Chemical Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS Number:
303987-70-4
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
MDL Number:
MFCD00111539
IUPAC Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide
InChI:
InChI=1S/C14H12N2O4S2/c1-16-10-7-8-21-12(10)11(17)13(22(16,19)20)14(18)15-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,15,18)
InChI Key:
FWYZHWNPROLRPB-UHFFFAOYSA-N
SMILES:
O=C(C1=C(O)c2sccc2N(S1(=O)=O)C)Nc1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.38g/mol
Monoisotopic Mass:
336.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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