Basic information
- Standard SMILES
O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1cccnc1)CC2- InChIKey
MWXVMJGOINNDDW-UHFFFAOYSA-N- Molecular formula
- C20H20F3N3O4S
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.11266179
Names & identifiers
- Preferred name
- 8-(Pyridine-3-sulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-pyridin-3-ylsulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(Pyridine-3-sulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL3752455
Database identifiers
- PubChem CID
- 59577912
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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