Basic information
- Standard SMILES
CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCOCC2- InChIKey
WNFZAUJCNKNKHH-UHFFFAOYSA-N- Molecular formula
- C17H22BrNO2S
- Average molar mass
- 384.3 g/mol
Names & identifiers
- Preferred name
- N-(5-Bromo-2',3',5',6'-tetrahydrospiro[indene-2,4'-pyran]-3(1 H)-ylidene)-2-methylpropane-2-sulfinamide
- IUPAC
- N-(6-bromospiro[3H-indene-2,4'-oxane]-1-ylidene)-2-methylpropane-2-sulfinamide
Names & synonyms
SCHEMBL9948055SCHEMBL9948057SCHEMBL9948061WNFZAUJCNKNKHH-UHFFFAOYSA-NN-(5-Bromo-2',3',5',6'-tetrahydrospiro[indene-2,4'-pyran]-3(1 H)-ylidene)-2-methylpropane-2-sulfinamideN-(5-Bromo-2',3',5',6'-tetrahydrospiro[indene-2,4'-pyran]-3(1H)-ylidene)-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 67979409
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Related reactions
8 records
Compound notes
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