Basic information
- Standard SMILES
O=C1OC2(CCN(C(=O)c3cn(C(=O)c4cc(F)cc(F)c4)c4cc(Cl)ccc34)CC2)c2ccc(Br)cc21- InChIKey
HRWWQSZBEHQKCN-UHFFFAOYSA-N- Molecular formula
- C28H18BrClF2N2O4
- Average molar mass
- 599.8 g/mol
- Monoisotopic mass
- 598.01065
Names & identifiers
- Preferred name
- 5-Bromo-1'-[{6-chloro-1-(3,5-difluorobenzoyl)-1H-indol-3-yl]carbonyl}-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 6-bromo-1'-[6-chloro-1-(3,5-difluorobenzoyl)indole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
5-Bromo-1'-[{6-chloro-1-(3,5-difluorobenzoyl)-1H-indol-3-yl]carbonyl}-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one5-Bromo-1'-{[6-chloro-1-(3,5-difluorobenzoyl)-1H-indol-3-yl]carbonyl}-3H-spiro[2-benzofuran-1,4'-piperidin]-3-oneSCHEMBL4361020HRWWQSZBEHQKCN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59657645
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 955
Related reactions
2 records
Compound notes
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