Basic information
- Standard SMILES
CC(C)(C)[S@](=O)/N=C\c1ncc(N2C(=O)c3ccccc3C2=O)cc1Br- InChIKey
XEPMYZDTDNTWQJ-HGTOBISFSA-N- Molecular formula
- C18H16BrN3O3S
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 433.00958
Names & identifiers
- Preferred name
- (NZ,S)-N-[[3-bromo-5-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
- IUPAC
- (NZ,S)-N-[[3-bromo-5-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 90281260
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
3 records
Compound notes
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