cis-1-Phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one
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Basic information
- CAS
851337-24-1- Standard SMILES
O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2- InChIKey
XMWPUEPUQVYCIC-GOTSBHOMSA-N- Molecular formula
- C25H31N3O
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.24671262
Names & identifiers
- Preferred name
- cis-1-Phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one
- IUPAC
- 1-phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 1-Phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
- Molecular formula
- C25H31N3O
- Molecular weight
- 389.53
Names & synonyms
CHEMBL3836101-phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-onecis-1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one851337-24-1SCHEMBL5557722XMWPUEPUQVYCIC-GOTSBHOMSA-NBDBM501759031,3,8-Triazaspiro[4.5]decan-4-one,1-phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-(1S,2S)-1-Phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one1-phenyl-8-((cis, rac)-2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one1-phenyl-8-((cis,rac)-2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one
Show more names
1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-
Database identifiers
- CAS
851337-24-1- PubChem CID
- 44406489
- ChEMBL
CHEMBL383610
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 607.2 · 607.2±55.0 °C(Predicted)
- Density
- 1.2 · 1.20
- pka
- 15.04 · 15.04±0.20(Predicted)
Related reactions
1 records
Compound notes
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