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303987-80-6 | N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS No: 303987-80-6 Catalog No: AG00INGN MDL No:MFCD01569070
Product Description
Catalog Number:
AG00INGN
Chemical Name:
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS Number:
303987-80-6
Molecular Formula:
C16H16N2O4S2
Molecular Weight:
364.4392
MDL Number:
MFCD01569070
IUPAC Name:
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
InChI:
InChI=1S/C16H16N2O4S2/c1-9-5-4-6-10(2)12(9)17-16(20)15-13(19)14-11(7-8-23-14)18(3)24(15,21)22/h4-8,19H,1-3H3,(H,17,20)
InChI Key:
XFNVZPINXQGSBN-UHFFFAOYSA-N
SMILES:
O=C(C1=C(O)c2sccc2N(S1(=O)=O)C)Nc1c(C)cccc1C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.434g/mol
Monoisotopic Mass:
364.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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