Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-4-(3-(trifluoromethyl)phenyl)-
Basic information
- CAS
153804-25-2- Standard SMILES
FC(F)(F)c1cccc(N2CCN(CCCCOc3cccc4c3SCCC4)CC2)c1- InChIKey
QMNBNTPZJWWDKE-UHFFFAOYSA-N- Molecular formula
- C24H29F3N2OS
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.19526921
Names & identifiers
- Preferred name
- Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-4-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Names & synonyms
Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-4-(3-(trifluoromethyl)phenyl)-8-((4-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)butyl)oxy)thiochroman153804-25-2DTXSID80165424RefChem:372306DTXCID8087915SCHEMBL9121145QMNBNTPZJWWDKE-UHFFFAOYSA-NL0098541-{4-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl}-4-[3-(trifluoromethyl)phenyl]piperazine
Database identifiers
- CAS
153804-25-2- PubChem CID
- 3073902
- DTXSID
DTXSID80165424
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 41 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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