[2-(2,5-Difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Basic information
- CAS
5682-55-3- Standard SMILES
O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1cc(F)ccc1F- InChIKey
YAQKOPMEWKNDQX-UHFFFAOYSA-N- Molecular formula
- C17H15F2NO3S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.07407084
Names & identifiers
- Preferred name
- [2-(2,5-Difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
- IUPAC
- [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Names & synonyms
5682-55-3[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylateDTXSID50411268AKOS007936764T6359652Z162079322-(2,5-Difluoroanilino)-2-oxoethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Database identifiers
- CAS
5682-55-3- PubChem CID
- 5223863
- DTXSID
DTXSID50411268
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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