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Basic information
- Standard SMILES
C[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(OCc2cc(C#N)cs2)cc1F- InChIKey
ZXUXOCGVUVSPBA-AEFFLSMTSA-N- Molecular formula
- C23H26FN3O2S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.17297642
Names & identifiers
- Preferred name
- 5-{3-Fluoro-4-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-phenoxymethyl}-thiophene-3-carbonitrile
- IUPAC
- 5-[[3-fluoro-4-[(2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrrolidine-1-carbonyl]phenoxy]methyl]thiophene-3-carbonitrile
Names & synonyms
SCHEMBL3590809ZXUXOCGVUVSPBA-AEFFLSMTSA-N5-{3-Fluoro-4-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-phenoxymethyl}-thiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 11633296
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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