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Basic information
- Standard SMILES
CN1CCC(Oc2ccc(Br)cc2C2CC(=O)NC(c3cccc(F)c3)C23C(=O)Nc2cc(Cl)ccc23)CC1- InChIKey
HEMICXOYXCLOOT-UHFFFAOYSA-N- Molecular formula
- C30H28BrClFN3O3
- Average molar mass
- 612.9 g/mol
Names & identifiers
- Preferred name
- racemic (2'S,3S,4'R)-4'-[5-bromo-2-(1-methyl-4-piperidinyloxy)-phenyl]-6-chloro-2'-(3-fluorophenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- 4'-[5-bromo-2-(1-methylpiperidin-4-yl)oxyphenyl]-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
Names & synonyms
HEMICXOYXCLOOT-UHFFFAOYSA-Nracemic (2'S,3S,4'R)-4'-[5-bromo-2-(1-methyl-4-piperidinyloxy)-phenyl]-6-chloro-2'-(3-fluorophenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
Database identifiers
- PubChem CID
- 74928443
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 922
Related reactions
2 records
Compound notes
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