Basic information
- Standard SMILES
CC(=O)c1cccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cn2S(=O)(=O)c2cccnc2)c1F- InChIKey
MTJRADYIXBNXMS-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O5S
- Average molar mass
- 487.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl {[5-(3-acetyl-2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
- IUPAC
- tert-butyl N-[[5-(3-acetyl-2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]-N-methylcarbamate
Names & synonyms
SCHEMBL1278606MTJRADYIXBNXMS-UHFFFAOYSA-Ntert-butyl {[5-(3-acetyl-2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamatetert-butyl{[5-(3-acetyl-2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
Database identifiers
- PubChem CID
- 66974665
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 841
Related reactions
9 records
Compound notes
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