4-Azido-N-methylspiperone
Basic information
- CAS
104820-55-5- Standard SMILES
CN1CN(c2ccc(N=[N+]=[N-])cc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O- InChIKey
FLOKIYHOMPQMNM-UHFFFAOYSA-N- Molecular formula
- C24H27FN6O2
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.21795229
Names & identifiers
- Preferred name
- 4-Azido-N-methylspiperone
- IUPAC
- 1-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 4-azido-N-methylspiperone
- Molecular formula
- C24H27FN6O2
- Molecular weight
- 450.5085832
Names & synonyms
4-Azido-N-methylspiperone4-Azidomethylspiperone104820-55-5DTXSID90146769RefChem:97915DTXCID40692601-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one
Database identifiers
- CAS
104820-55-5- PubChem CID
- 128680
- DTXSID
DTXSID90146769
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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