Basic information
- Standard SMILES
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C- InChIKey
RSALASLNYRMGOC-UHFFFAOYSA-N- Molecular formula
- C22H28FNO2
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.2104073
Names & identifiers
- Preferred name
- 5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
- IUPAC
- [5-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Names & synonyms
CHEMBL410677SCHEMBL2077281BDBM212865-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
Database identifiers
- PubChem CID
- 24768489
- ChEMBL
CHEMBL410677
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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