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727671-82-1 | N,N-diethyl-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS No: 727671-82-1 Catalog No: AG00JH59 MDL No:MFCD05860242
Product Description
Catalog Number:
AG00JH59
Chemical Name:
N,N-diethyl-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS Number:
727671-82-1
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD05860242
IUPAC Name:
N,N-diethyl-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
InChI:
InChI=1S/C13H18N2O4S/c1-4-15(5-2)20(17,18)12-7-10-11(6-9(12)3)19-8-13(16)14-10/h6-7H,4-5,8H2,1-3H3,(H,14,16)
InChI Key:
KCDFQKVSFJPHGI-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cc2NC(=O)COc2cc1C)CC
Properties
Complexity:
456
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:
1
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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