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309265-90-5 | 2H-1,3-Thiazine-6-carboxylic acid, tetrahydro-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-
CAS No: 309265-90-5 Catalog No: AG0031OE MDL No:MFCD01819448
Product Description
Catalog Number:
AG0031OE
Chemical Name:
2H-1,3-Thiazine-6-carboxylic acid, tetrahydro-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-
CAS Number:
309265-90-5
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
MDL Number:
MFCD01819448
IUPAC Name:
2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
InChI:
InChI=1S/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)
InChI Key:
SHHMYICJNAACAQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=C1SC(CC(=O)N1C)C(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.325g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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