Basic information
- CAS
352682-66-7- Standard SMILES
CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCCC2- InChIKey
ROFJQHCWIBQVOX-UHFFFAOYSA-N- Molecular formula
- C23H27Cl2NO4S
- Average molar mass
- 484.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- English name
- ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- Molecular formula
- C23H27Cl2NO4S
- Molecular weight
- 484.44
Names & synonyms
ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylateSTK419354AKOS003269000ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylateAK-968/12116132Cycloocta[b]thiophene-3-carboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-4,5,6,7,8,9-hexahydro-, ethyl ester
Database identifiers
- CAS
352682-66-7
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Boiling point
- 681.9 · 681.9±55.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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