Basic information
- Standard SMILES
CN(C)CCOCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O- InChIKey
VSPRROBEBYTMTG-UHFFFAOYSA-N- Molecular formula
- C18H22FN3O3S
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- 2-{2-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]ethoxy}-N,N-dimethylethanamine
- IUPAC
- 2-[2-[3-(2-fluorophenyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]ethoxy]-N,N-dimethylethanamine
Names & synonyms
SCHEMBL3612791VSPRROBEBYTMTG-UHFFFAOYSA-N2-{2-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]ethoxy}-N,N-dimethylethanamine
Database identifiers
- PubChem CID
- 57886331
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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