1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one
Basic information
- Standard SMILES
COc1cc(COc2cc(NC(C)=O)c(Br)cc2C(=O)CCCCBr)cc(OC)c1- InChIKey
RFOSGLQNMQRBHJ-UHFFFAOYSA-N- Molecular formula
- C22H25Br2NO5
- Average molar mass
- 543.2 g/mol
Names & identifiers
- Preferred name
- 1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one
- IUPAC
- N-[2-bromo-4-(5-bromopentanoyl)-5-[(3,5-dimethoxyphenyl)methoxy]phenyl]acetamide
Names & synonyms
SCHEMBL7351725RFOSGLQNMQRBHJ-UHFFFAOYSA-N1-[4-acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one
Database identifiers
- PubChem CID
- 19081955
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 538
Related reactions
2 records
Compound notes
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