Basic information
- Standard SMILES
CC(C)(C)S(=O)N=C1CC2(CCCOC2)Oc2ccc(Br)cc21- InChIKey
JFIQOJPCUVCJLX-UHFFFAOYSA-N- Molecular formula
- C17H22BrNO3S
- Average molar mass
- 400.3 g/mol
Names & identifiers
- Preferred name
- N-(6-Bromo-5',6'-dihydro-4'H-spiro[chromene-2,3'-pyran]-4(3H)-ylidene)-2-methylpropane-2-sulfinamide
- IUPAC
- N-(6-bromospiro[3H-chromene-2,3'-oxane]-4-ylidene)-2-methylpropane-2-sulfinamide
Names & synonyms
SCHEMBL9947904SCHEMBL9947905SCHEMBL9947906SCHEMBL14054115SCHEMBL14129080JFIQOJPCUVCJLX-UHFFFAOYSA-NUS8865911, 227N-(6-Bromo-5',6'-dihydro-4'H-spiro[chromene-2,3'-pyran]-4(3H)-ylidene)-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 67979337
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
7 records
Compound notes
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