1,3,8-Triazaspiro(4,5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)cyclohexyl)-1-(4-chlorophenyl)-
Basic information
- CAS
61271-39-4- Standard SMILES
O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC1)CC2- InChIKey
PVADHCQRQHNITG-UHFFFAOYSA-N- Molecular formula
- C31H32ClF2N3O
- Average molar mass
- 536.1 g/mol
- Monoisotopic mass
- 535.2201967
Names & identifiers
- Preferred name
- 1,3,8-Triazaspiro(4,5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)cyclohexyl)-1-(4-chlorophenyl)-
- IUPAC
- 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
1,3,8-Triazaspiro(4,5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)cyclohexyl)-1-(4-chlorophenyl)-8-(4,4-Bis(4-fluorophenyl)cyclohexyl)-1-(4-chlorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one61271-39-4DTXSID302101708-(4,4-Bis(p-fluorophenyl)cyclohexyl)-1-(p-chlorophenyl)-1,3,8-triazaspiro(4,5)decan-4-oneRefChem:217614DTXCID30132661SCHEMBL115949731-(4-Chlorophenyl)-8-(1~4~,3~4~-difluoro-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~4~-yl)-1,3,8-triazaspiro[4.5]decan-4-one
Database identifiers
- CAS
61271-39-4- PubChem CID
- 3045886
- DTXSID
DTXSID30210170
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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