Basic information
- Standard SMILES
Fc1cccc(Sc2ccc3c4c(oc3c2)C2(CCCOC2)NCC4)c1- InChIKey
LFNKQPBPWRGOTK-UHFFFAOYSA-N- Molecular formula
- C21H20FNO2S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.11987822
Names & identifiers
- Preferred name
- 7-[(3-Fluorophenyl)sulfanyl]-3,4,5',6'-tetrahydro-2H,4'H-spiro[1-benzofuro[2,3-c]pyridine-1,3'-pyran]
- IUPAC
- 7-(3-fluorophenyl)sulfanylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,3'-oxane]
Names & synonyms
SCHEMBL2223042LFNKQPBPWRGOTK-UHFFFAOYSA-N7-[(3-Fluorophenyl)sulfanyl]-3,4,5',6'-tetrahydro-2H,4'H-spiro[1-benzofuro[2,3-c]pyridine-1,3'-pyran]
Database identifiers
- PubChem CID
- 67322889
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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