Basic information
- Standard SMILES
CC(C)(C)S(=O)N=C1c2cc(OCCCF)ccc2CC12CCC(O)CC2- InChIKey
CKLSQDJPNMSNAD-UHFFFAOYSA-N- Molecular formula
- C21H30FNO3S
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- N-(5'-(3-Fluoropropoxy)-4-hydroxyspiro[cyclohexane-1,2'-indene]-3'(1'H)-ylidene)-2-methylpropane-2-sulfinamide
- IUPAC
- N-[6-(3-fluoropropoxy)-4'-hydroxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene]-2-methylpropane-2-sulfinamide
Names & synonyms
SCHEMBL16621499SCHEMBL16621549CKLSQDJPNMSNAD-UHFFFAOYSA-NN-(5'-(3-Fluoropropoxy)-4-hydroxyspiro[cyclohexane-1,2'-indene]-3'(1'H)-ylidene)-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 86706683
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
2 records
Compound notes
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