Basic information
- Standard SMILES
O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOCC1F)NCC3- InChIKey
NEVMDGGDQXZYIA-UHFFFAOYSA-N- Molecular formula
- C21H19F2NO4S
- Average molar mass
- 419.4 g/mol
Names & identifiers
- Preferred name
- 3'-Fluoro-7-[(3-fluorophenyl)sulfonyl]-2',3,3',4,5',6'-hexahydro-2H-spiro[1-benzofuro[2,3-c]pyridine-1,4'-pyran]
- IUPAC
- 3'-fluoro-7-(3-fluorophenyl)sulfonylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-oxane]
Names & synonyms
SCHEMBL12518705NEVMDGGDQXZYIA-UHFFFAOYSA-N3'-Fluoro-7-[(3-fluorophenyl)sulfonyl]-2',3,3',4,5',6'-hexahydro-2H-spiro[1-benzofuro[2,3-c]pyridine-1,4'-pyran]
Database identifiers
- PubChem CID
- 53327612
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
Loading…