Ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Basic information
- CAS
438529-70-5- Standard SMILES
CCOC(=O)c1c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)sc2c1CCC(CC)C2- InChIKey
QEQFJBJDVRSDJR-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2NO4S
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.0881348
Names & identifiers
- Preferred name
- Ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C22H25Cl2NO4S
- Molecular weight
- 470.41
Names & synonyms
ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_266766AK-968/15363310STK959176AKOS003889973ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, ethyl ester
Database identifiers
- CAS
438529-70-5- PubChem CID
- 3316025
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 650.5 · 650.5±55.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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