Basic information
- Standard SMILES
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)CCC2=Cc1ccc(F)cc1- InChIKey
OVJXEPSGNVCYBC-UHFFFAOYSA-N- Molecular formula
- C23H20FNO4S
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(4-fluorobenzylidene)-1-tosyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
- IUPAC
- methyl 4-[(4-fluorophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-5,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
Names & synonyms
SCHEMBL1007189OVJXEPSGNVCYBC-UHFFFAOYSA-Nmethyl 4-(4-fluorobenzylidene)-1-tosyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 66874708
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
Related reactions
1 records
Compound notes
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