Basic information
- Standard SMILES
O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1cccnc1Cl)CC2- InChIKey
BFAYYHHFVKOREJ-UHFFFAOYSA-N- Molecular formula
- C20H19ClF3N3O4S
- Average molar mass
- 489.9 g/mol
Names & identifiers
- Preferred name
- 8-(2-Chloro-pyridine-3-sulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-[(2-chloro-3-pyridinyl)sulfonyl]-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(2-Chloro-pyridine-3-sulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL745795
Database identifiers
- PubChem CID
- 59577960
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
Related reactions
19 records
Compound notes
Loading…