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ZINC00938303 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)ace

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摘 要:ZINC00938303 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide,Canonical SMILES: C1C(=O)OC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N,InChI: InChI=1/C16H15N3O5S/c17-25(22,,23)12-7-5-11(6-8-12)18-15(20)9-19-10-16(21)24-14-4-2-1-3-13(14)19
[Synonyms]
ZINC00938303
[Structure]
ZINC00938303 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)ace

[ Properties Computed from Structure]
Molecular Weight361.3724 [g/mol]
Molecular FormulaC16H15N3O5S
XLogP0.7
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count4
Tautomer Count2
Exact Mass361.073241
MonoIsotopic Mass361.073241
Topological Polar Surface Area119
Heavy Atom Count25
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
Canonical SMILES: C1C(=O)OC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1/C16H15N3O5S/c17-25(22,
23)12-7-5-11(6-8-12)18-15(20)9-19-10-16(21)24-14-4-2-1-3-13(14)19/h1-8H,
9-10H2,(H,18,20)(H2,17,22,23)/f/h18H,17H2

 
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