Basic information
- Standard SMILES
CS(=O)(=O)N1CC2(CCN(CC=Cc3ccc(Cl)cc3)C2)c2cc(Cl)ccc21- InChIKey
OQZQHJVSTHJGQW-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N2O2S
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 436.0779045
Names & identifiers
- Preferred name
- 5-chloro-1'-[3-(4-chlorophenyl)prop-2-enyl]-1-methylsulfonylspiro[2H-indole-3,3'-pyrrolidine]
- IUPAC
- 5-chloro-1'-[3-(4-chlorophenyl)prop-2-enyl]-1-methylsulfonylspiro[2H-indole-3,3'-pyrrolidine]
Names & synonyms
SCHEMBL4129892
Database identifiers
- PubChem CID
- 68924243
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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