N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide

• ChemBase ID: 735387
• Molecular Formular: C14H16N4O5S
• Molecular Mass: 352.36564
• Monoisotopic Mass: 352.08414063
• SMILES: S1(=O)(=O)NC(C(=O)NCCOc2nonc2C)Cc2c1cccc2
• Canonical SMILES: O=C(C1Cc2ccccc2S(=O)(=O)N1)NCCOc1nonc1C
• InChI: InChI=1S/C14H16N4O5S/c1-9-14(17-23-16-9)22-7-6-15-13(19)11-8-10-4-2-3-5-12(10)24(20,21)18-11/h2-5,11,18H,6-8H2,1H3,(H,15,19)
• InChIKey: XDVRDTZDDZPGLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-1,1-dioxo-3,4-dihydro-2H-1λ^6,2-benzothiazine-3-carboxamide
• IUPAC Traditional name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-1,1-dioxo-3,4-dihydro-2H-1λ^6,2-benzothiazine-3-carboxamide
• Synonyms: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3,4-dihydro-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.030775
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.091774546
• LogD (pH = 7.4): -0.09266242
• Log P: -0.091763206
• Molar Refractivity: 84.7988 cm^3
• Polarizability: 32.63641 Å^3
• Polar Surface Area: 123.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 0.06
• LOG S: -3.13
• Polar Surface Area: 123.42 Å^2
• Rotatable Bonds: 5