Basic information
- Standard SMILES
O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(Br)cc1F)C2- InChIKey
DRKKVWMUBCTBPC-UHFFFAOYSA-N- Molecular formula
- C20H26BrFN2O2
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- 9-(4-Bromo-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
- IUPAC
- 9-(4-bromo-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
Database identifiers
- PubChem CID
- 76547897
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Related reactions
3 records
Compound notes
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