(S)-2-[4-(3-bromo-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(Br)c2F)=CC1=O- InChIKey
JWVOZZZNYIKGKA-AWEZNQCLSA-N- Molecular formula
- C18H21BrFNO4
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- (S)-2-[4-(3-bromo-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid ethyl ester
- IUPAC
- ethyl (2S)-2-[3-(3-bromo-2-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoate
Names & synonyms
SCHEMBL1068439JWVOZZZNYIKGKA-AWEZNQCLSA-N(S)-2-[4-(3-bromo-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid ethyl ester
Database identifiers
- PubChem CID
- 66895239
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
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Related reactions
1 records
Compound notes
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