Basic information
- Standard SMILES
CCOC(=O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)CCP(=O)(O)O- InChIKey
FOUNBHPVCDTIQL-QGZVFWFLSA-N- Molecular formula
- C21H24ClFNO6P
- Average molar mass
- 471.8 g/mol
Names & identifiers
- Preferred name
- (R)-(3-((1-(5'-chloro-2'-fluoro-[1,1-biphenyl]-4-yl)-4-ethoxy-4-oxobutan-2-yl)amino)-3-oxopropyl)phosphonic acid
- IUPAC
- [3-[[(2R)-1-[4-(5-chloro-2-fluorophenyl)phenyl]-4-ethoxy-4-oxobutan-2-yl]amino]-3-oxopropyl]phosphonic acid
Names & synonyms
SCHEMBL15939224FOUNBHPVCDTIQL-QGZVFWFLSA-N(R)-(3-((1-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-4-ethoxy-4-oxobutan-2-yl)amino)-3-oxopropyl)phosphonic acid(R)-(3-((1-(5'-chloro-2'-fluoro-[1,1-biphenyl]-4-yl)-4-ethoxy-4-oxobutan-2-yl)amino)-3-oxopropyl)phosphonic acid
Database identifiers
- PubChem CID
- 90331702
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Related reactions
1 records
Compound notes
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