N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

• ChemBase ID: 82632
• Molecular Formular: C10H10N2O3S
• Molecular Mass: 238.263
• Monoisotopic Mass: 238.04121319
• SMILES: N1C(=O)C(CC(=O)NO)Sc2ccccc12
• Canonical SMILES: ONC(=O)CC1Sc2ccccc2NC1=O
• InChI: InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)
• InChIKey: UKDWCJNGBPZOBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
• IUPAC Traditional name: N-hydroxy-2-(3-oxo-2,4-dihydro-1,4-benzothiazin-2-yl)acetamide
• Synonyms: N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

Database IDs

• CAS Number: 175202-81-0
• MDL Number: MFCD00052127
• PubChem SID: 162069751
• PubChem CID: 2778865

CALCULATED PROPERTIES

• Acid pKa: 8.89041
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.34582055
• LogD (pH = 7.4): 0.3322442
• Log P: 0.34599644
• Molar Refractivity: 61.3845 cm^3
• Polarizability: 23.102055 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%