8-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Basic information
- CAS
851337-38-7- Standard SMILES
O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(Cl)cc1)CC2- InChIKey
QKABBYCECKWKGD-GOTSBHOMSA-N- Molecular formula
- C25H30ClN3O
- Average molar mass
- 424 g/mol
- Monoisotopic mass
- 423.2077403
Names & identifiers
- Preferred name
- 8-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
- IUPAC
- 8-[(1S,2S)-2-(4-chlorophenyl)cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
CHEMBL413714DTXSID601124853BDBM501759048-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one851337-38-78-[(1S,2S)-2-(4-Chlorophenyl)cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-onerel-8-[(1R,2R)-2-(4-Chlorophenyl)cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Database identifiers
- CAS
851337-38-7- PubChem CID
- 44406708
- DTXSID
DTXSID601124853- ChEMBL
CHEMBL413714
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…