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Basic information
- Standard SMILES
C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(CC(F)(F)F)s2)CC1)C(F)(F)F- InChIKey
CUMLRBPVDDJGBG-LBPRGKRZSA-N- Molecular formula
- C20H21F6N3O4S2
- Average molar mass
- 545.5 g/mol
- Monoisotopic mass
- 545.08776748
Names & identifiers
- Preferred name
- [5-Methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-{4-[5-(2,2,2-trifluoro-ethyl)-thiazol-2-yl]-piperazin-1-yl}-methanone
- IUPAC
- [5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
Names & synonyms
[5-Methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-{4-[5-(2,2,2-trifluoro-ethyl)-thiazol-2-yl]-piperazin-1-yl}-methanoneSCHEMBL2825516
Database identifiers
- PubChem CID
- 11699565
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 843
Related reactions
1 records
Compound notes
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