ethyl 4-fluoro-3-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzoate

HCID 89657255

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

Related reactions

3 records

Compound notes

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