Basic information
- Standard SMILES
COC1(c2cc(F)cc(Sc3ccc(NC(C)=O)cc3)c2)CCN(CC(F)(F)F)C1- InChIKey
RYBXMGKQXRGSBW-UHFFFAOYSA-N- Molecular formula
- C21H22F4N2O2S
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.13381177
Names & identifiers
- Preferred name
- 3-[3-(4-Acetamidophenylthio)-5-fluorophenyl]-3-methoxy-1-(2,2,2-trifluoroethyl)pyrrolidine
- IUPAC
- N-[4-[3-fluoro-5-[3-methoxy-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]phenyl]sulfanylphenyl]acetamide
Names & synonyms
3-[3-(4-acetamidophenylthio)-5-fluorophenyl]-3-methoxy-1-(2,2,2-trifluoroethyl)pyrrolidineSCHEMBL9178683
Database identifiers
- PubChem CID
- 19935846
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
Related reactions
1 records
Compound notes
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