Basic information
- Standard SMILES
O=C1OC2(CCN(C(=O)c3cn(S(=O)(=O)c4cc(F)cc(F)c4)c4cc(Cl)ccc34)CC2)c2ccc(Br)cc21- InChIKey
YQISGRXOKDSMQM-UHFFFAOYSA-N- Molecular formula
- C27H18BrClF2N2O5S
- Average molar mass
- 635.9 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-1'-({6-chloro-1-[(3,5-difluorophenyl)sulfonyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 6-bromo-1'-[6-chloro-1-(3,5-difluorophenyl)sulfonylindole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL4360893YQISGRXOKDSMQM-UHFFFAOYSA-N5-Bromo-1'-({6-chloro-1-[(3,5-difluorophenyl)sulfonyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 59657699
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
3 records
Compound notes
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