2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide
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Basic information
- CAS
349636-99-3- Standard SMILES
CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1- InChIKey
ZLVJFWPUXYYWKM-UHFFFAOYSA-N- Molecular formula
- C18H13N3O5S2
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
- English name
- 2-(1,3-dioxoisoindolin-2-yl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acetamide
- Molecular formula
- C18H13N3O5S2
- Molecular weight
- 415.44
Names & synonyms
349636-99-32-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamideF0463-00442-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamideOprea1_359674Oprea1_708817HMS1683F16SMSSF-0054578STK081877AKOS0006487412-(1,3-dioxoisoindolin-2-yl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acetamide
Show more names
2H-Isoindole-2-acetamide, 1,3-dihydro-N-[6-(methylsulfonyl)-2-benzothiazolyl]-1,3-dioxo-
ST056874AB00137810-03AS-871/41251132SR-01000443290SR-01000443290-1Z281801182-(1,3-dioxobenzo[c]azolidin-2-yl)-N-[6-(methylsulfonyl)benzothiazol-2-yl]acet amide2-{[(1,3-dioxo-2-isoindolinyl)methyl]carbonylamino}-1,3-benzothiazol-6-yl(methyl)(oxo)-lambda-sulfaniumolate
Database identifiers
- CAS
349636-99-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- 8.21 · 8.21±0.70(Predicted)
Related reactions
0 records
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Compound notes
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