Basic information
- CAS
143759-98-2- Standard SMILES
COc1cccc(SCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1- InChIKey
BQBYTJMWZWDPMV-UHFFFAOYSA-N- Molecular formula
- C30H36F2N2O2S
- Average molar mass
- 526.7 g/mol
- Monoisotopic mass
- 526.24655589
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-
- IUPAC
- 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-methoxyphenyl)sulfanylpropan-2-ol
Names & synonyms
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-methoxyphenylthio)propyl)piperazine143759-98-21-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-1-piperazineethanolRefChem:233788SCHEMBL9144427DTXSID709320461-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-[(3-methoxyphenyl)sulfanyl]propan-2-ol
Database identifiers
- CAS
143759-98-2- PubChem CID
- 3072736
- DTXSID
DTXSID70932046
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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