9-Ethyl-6,7-difluoro-8-difluoromethoxy-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinolin-3,4-dione
Basic information
- Standard SMILES
CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(F)c(OC(F)F)c21- InChIKey
AWPLIHJRDDHCNZ-UHFFFAOYSA-N- Molecular formula
- C13H8F4N2O3S
- Average molar mass
- 348.27 g/mol
- Monoisotopic mass
- 348.01917594
Names & identifiers
- Preferred name
- 9-Ethyl-6,7-difluoro-8-difluoromethoxy-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinolin-3,4-dione
- IUPAC
- 8-(difluoromethoxy)-9-ethyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
Names & synonyms
9-ethyl-6,7-difluoro-8-difluoromethoxy-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinolin-3,4-dioneSCHEMBL8735576
Database identifiers
- PubChem CID
- 21473345
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 573
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Related reactions
1 records
Compound notes
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