Basic information
- Standard SMILES
CCOC(=O)c1ccc(F)c(-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)c1- InChIKey
FDHXAPZKLZTYMI-UHFFFAOYSA-N- Molecular formula
- C24H21FN2O5S
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.11552111
Names & identifiers
- Preferred name
- ethyl 4-fluoro-3-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzoate
- IUPAC
- ethyl 4-fluoro-3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]benzoate
Names & synonyms
ethyl 4-fluoro-3-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzoateSCHEMBL15069180FDHXAPZKLZTYMI-UHFFFAOYSA-NDB-1423371445993-92-9
Database identifiers
- PubChem CID
- 89657255
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 893
Related reactions
3 records
Compound notes
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