Basic information
- Standard SMILES
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC- InChIKey
XJVMVOUITFRIMF-JOCHJYFZSA-N- Molecular formula
- C25H29BrN2O5
- Average molar mass
- 517.4 g/mol
Names & identifiers
- Preferred name
- Benzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamate
- IUPAC
- benzyl N-[(2R)-1-[2-bromoprop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate
Names & synonyms
SCHEMBL12219109XJVMVOUITFRIMF-JOCHJYFZSA-NBenzyl (1R)-1-{[(2-bromoprop-2-enyl) (2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamatebenzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl) amino]carbonyl}but-3-enylcarbamateBenzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamate
Database identifiers
- PubChem CID
- 23657090
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 653
Related reactions
43 records
Linked notes
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