AK-968/11988040
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Basic information
- CAS
352679-20-0- Standard SMILES
CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2- InChIKey
BGWLCRAOSYVORW-UHFFFAOYSA-N- Molecular formula
- C14H19NO3S
- Average molar mass
- 281.37 g/mol
Names & identifiers
- Preferred name
- AK-968/11988040
- IUPAC
- propan-2-yl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- isopropyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C14H19NO3S
- Molecular weight
- 281.37056
Names & synonyms
DTXSID90357818AK-968/11988040RefChem:317902DTXCID40308875propan-2-yl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_098302STK421679AKOS003254719isopropyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAB00094019-01SR-01000217672SR-01000217672-1
Show more names
propan-2-yl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
352679-20-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
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Compound notes
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