Basic information
- Standard SMILES
COC(=O)c1cnc2c(c1)cc(C(=O)CC(C)C)n2S(=O)(=O)c1ccccc1- InChIKey
AYCBMQISRIJBRY-UHFFFAOYSA-N- Molecular formula
- C20H20N2O5S
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- 1-benzenesulfonyl-2-(3-methyl-butyryl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester
- IUPAC
- methyl 1-(benzenesulfonyl)-2-(3-methylbutanoyl)pyrrolo[2,3-b]pyridine-5-carboxylate
Names & synonyms
SCHEMBL1961745AYCBMQISRIJBRY-UHFFFAOYSA-N1-benzenesulfonyl-2-(3-methyl-butyryl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67228917
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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