Ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
Basic information
- CAS
6363-99-1- Standard SMILES
CCCCCCCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC- InChIKey
AVSBUTFWSBLYED-UHFFFAOYSA-N- Molecular formula
- C23H30FNO3S
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.19304315
Names & identifiers
- Preferred name
- Ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
Names & synonyms
6363-99-1Ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylateDTXSID50410650AKOS003798250Ethyl 2-decanamido-4-(4-fluorophenyl)thiophene-3-carboxylate
Database identifiers
- CAS
6363-99-1- PubChem CID
- 5216201
- DTXSID
DTXSID50410650
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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