Basic information
- CAS
879178-36-6- Standard SMILES
Fc1ccc(-c2nnn(CN3CCN(CCOc4ccc(Cl)cc4)CC3)n2)cc1- InChIKey
KBWALINFPKGQPC-UHFFFAOYSA-N- Molecular formula
- C20H22ClFN6O
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.1527652
Names & identifiers
- Preferred name
- 1-[2-(4-Chlorophenoxy)ethyl]-4-[[5-(4-fluorophenyl)-2H-tetrazol-2-yl]methyl]piperazine
- IUPAC
- 1-[2-(4-chlorophenoxy)ethyl]-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazine
Names & synonyms
1-[2-(4-Chlorophenoxy)ethyl]-4-[[5-(4-fluorophenyl)-2H-tetrazol-2-yl]methyl]piperazine1-[2-(4-Chlorophenoxy)ethyl]-4-{[5-(4-fluorophenyl)-2H-tetrazol-2-yl]methyl}piperazineDTXSID701126238879178-36-6Z52556976
Database identifiers
- CAS
879178-36-6- PubChem CID
- 9508467
- DTXSID
DTXSID701126238
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…