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950277-15-3 | 1-ethyl-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS No: 950277-15-3 Catalog No: AG00J0K8 MDL No:MFCD14727192
Product Description
Catalog Number:
AG00J0K8
Chemical Name:
1-ethyl-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS Number:
950277-15-3
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD14727192
IUPAC Name:
1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C10H11NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6H,2,7H2,1H3
InChI Key:
NFGUPHSBQSPLCC-UHFFFAOYSA-N
SMILES:
CCN1c2ccccc2C(=O)CS1(=O)=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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