Basic information
- Standard SMILES
CC(C)CCC1C(=O)N(c2c(F)c(F)nc(F)c2F)S(=O)(=O)N1C- InChIKey
VEJBBFQDPPCDOK-UHFFFAOYSA-N- Molecular formula
- C13H15F4N3O3S
- Average molar mass
- 369.34 g/mol
- Monoisotopic mass
- 369.07702517
Names & identifiers
- Preferred name
- 2-(2,3,5,6-Tetrafluoro-4-pyridyl)-5-methyl-4-(3-methylbutyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
- IUPAC
- 5-methyl-4-(3-methylbutyl)-1,1-dioxo-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL7339567VEJBBFQDPPCDOK-UHFFFAOYSA-N2-(2,3,5,6-tetrafluoro-4-pyridyl)-5-methyl-4-(3-methylbutyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
Database identifiers
- PubChem CID
- 18922255
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 572
Related reactions
3 records
Compound notes
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