Basic information
- Standard SMILES
CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(CCCCC(=O)OC)S(C)(=O)=O)c(I)cc12- InChIKey
BPBMGKDQXKBDHL-UHFFFAOYSA-N- Molecular formula
- C22H23FIN3O6S
- Average molar mass
- 603.4 g/mol
- Monoisotopic mass
- 603.03363
Names & identifiers
- Preferred name
- 5-{[2-(4-Fluoro-phenyl)-5-iodo-3-methylcarbamoyl-furo[2,3-b]pyridin-6-yl]-methanesulfonyl-amino}-pentanoic acid methyl ester
- IUPAC
- methyl 5-[[2-(4-fluorophenyl)-5-iodo-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoate
Names & synonyms
SCHEMBL355281BPBMGKDQXKBDHL-UHFFFAOYSA-N5-{[2-(4-Fluoro-phenyl)-5-iodo-3-methylcarbamoyl-furo[2,3-b]pyridin-6-yl]-methanesulfonyl-amino}-pentanoic acid methyl ester
Database identifiers
- PubChem CID
- 54575202
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 820
Related reactions
2 records
Compound notes
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