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727672-14-2 | N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS No: 727672-14-2 Catalog No: AG00JH5A MDL No:MFCD05860259
Product Description
Catalog Number:
AG00JH5A
Chemical Name:
N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS Number:
727672-14-2
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD05860259
IUPAC Name:
N-tert-butyl-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
InChI:
InChI=1S/C13H18N2O4S/c1-8-5-10-9(14-12(16)7-19-10)6-11(8)20(17,18)15-13(2,3)4/h5-6,15H,7H2,1-4H3,(H,14,16)
InChI Key:
WFSMBPYVTMVWEK-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(c(c2)C)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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