Basic information
- Standard SMILES
CN(Cc1cc(-c2cccc(C=O)c2F)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C- InChIKey
WQWXQLYQGHJLMT-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O5S
- Average molar mass
- 473.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl {[5-(2-fluoro-3-formylphenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
- IUPAC
- tert-butyl N-[[5-(2-fluoro-3-formylphenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]-N-methylcarbamate
Names & synonyms
SCHEMBL1278815WQWXQLYQGHJLMT-UHFFFAOYSA-Ntert-butyl {[5-(2-fluoro-3-formylphenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamatetert-butyl{[5-(2-fluoro-3-formylphenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
Database identifiers
- PubChem CID
- 86631002
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 797
Related reactions
27 records
Compound notes
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