Basic information
- Standard SMILES
CCOC1=NS(=O)(=O)C(C)(c2cccc(Br)c2)C(C)(C)O1- InChIKey
DKMIHHKAKFSAPO-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO4S
- Average molar mass
- 376.27 g/mol
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-2-ethoxy-5,6,6-trimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide
- IUPAC
- 5-(3-bromophenyl)-2-ethoxy-5,6,6-trimethyl-1,4,3-oxathiazine 4,4-dioxide
Names & synonyms
SCHEMBL12699955DKMIHHKAKFSAPO-UHFFFAOYSA-N5-(3-Bromophenyl)-2-ethoxy-5,6,6-trimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide
Database identifiers
- PubChem CID
- 68359235
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
Loading…