Basic information
- Standard SMILES
CC1CCCN1CC1CCCN1C(=O)c1ccc(-c2ccc(S(C)(=O)=O)s2)cc1F- InChIKey
JBPWECHUAJDEFE-UHFFFAOYSA-N- Molecular formula
- C22H27FN2O3S2
- Average molar mass
- 450.6 g/mol
Names & identifiers
- Preferred name
- [2-Fluoro-4-(5-methylsulfonylthiophen-2-yl)phenyl]-[2-[(2-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanone
- IUPAC
- [2-fluoro-4-(5-methylsulfonylthiophen-2-yl)phenyl]-[2-[(2-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL13404654
Database identifiers
- PubChem CID
- 11640964
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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