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Basic information
- Standard SMILES
C=CCC1(S(=O)(=O)n2c(=O)n(-c3ccc(I)cc3F)c3c(F)c4ncsc4cc32)CC1- InChIKey
GUJDIVASABXKDG-UHFFFAOYSA-N- Molecular formula
- C20H14F2IN3O3S2
- Average molar mass
- 573.4 g/mol
- Monoisotopic mass
- 572.94894
Names & identifiers
- Preferred name
- 7-((1-allylcyclopropyl)sulfonyl)-4-fluoro-5-(2-fluoro-4-iodophenyl)-5H-imidazo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-one
- IUPAC
- 4-fluoro-5-(2-fluoro-4-iodophenyl)-7-(1-prop-2-enylcyclopropyl)sulfonylimidazo[4,5-f][1,3]benzothiazol-6-one
Names & synonyms
SCHEMBL15130134GUJDIVASABXKDG-UHFFFAOYSA-N7-((1-allylcyclopropyl)sulfonyl)-4-fluoro-5-(2-fluoro-4-iodophenyl)-5H-imidazo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-one
Database identifiers
- PubChem CID
- 89705366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 868
Related reactions
2 records
Compound notes
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