Basic information
- Standard SMILES
CC(F)(F)c1cccc(Oc2ccc(C3=CC=CN4CCS(=O)(=O)N=C34)cc2)c1- InChIKey
ABGKKNBZVBGYEN-UHFFFAOYSA-N- Molecular formula
- C21H18F2N2O3S
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- 9-{4-[3-(1,1-Difluoroethyl)phenoxy]phenyl}-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
- IUPAC
- 9-[4-[3-(1,1-difluoroethyl)phenoxy]phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Names & synonyms
9-{4-[3-(1,1-difluoroethyl)phenoxy]phenyl}-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxideSCHEMBL625278
Database identifiers
- PubChem CID
- 66748769
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 808
Related reactions
8 records
Compound notes
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