Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C1N(c2ccc(OCC(F)(F)F)nc2)CCC12CCN(S(=O)(=O)c1ccccc1)CC2- InChIKey
KKHUILBKDIJRJX-UHFFFAOYSA-N- Molecular formula
- C21H22F3N3O4S
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.12831185
Names & identifiers
- Preferred name
- 8-Benzenesulfonyl-2-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-(benzenesulfonyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-Benzenesulfonyl-2-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL3751874
Database identifiers
- PubChem CID
- 59577892
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
1 records
Compound notes
Loading…