Basic information
- Standard SMILES
CCCc1cc(CBr)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2- InChIKey
JUFVSHGGYCDFCI-UHFFFAOYSA-N- Molecular formula
- C28H30BrNO6S
- Average molar mass
- 588.5 g/mol
Names & identifiers
- Preferred name
- N-(4-iso-propylbenzenesulfonyl)-alpha-(4-bromomethyl-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide
Names & synonyms
SCHEMBL7329588JUFVSHGGYCDFCI-UHFFFAOYSA-NN-(4-iso-propylbenzenesulfonyl)-alpha-(4-bromomethyl-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetamide
Database identifiers
- PubChem CID
- 22912502
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 840
Related reactions
4 records
Compound notes
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