8-(2-Cyclopropyl-2-hydroxy-ethanesulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
Basic information
- Standard SMILES
O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)CC(O)C1CC1)CC2- InChIKey
BEUPJMIXIPPESM-UHFFFAOYSA-N- Molecular formula
- C20H25F3N2O5S
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.14362756
Names & identifiers
- Preferred name
- 8-(2-Cyclopropyl-2-hydroxy-ethanesulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-(2-cyclopropyl-2-hydroxyethyl)sulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(2-cyclopropyl-2-hydroxy-ethanesulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL745844
Database identifiers
- PubChem CID
- 59577896
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 765
Related reactions
4 records
Compound notes
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