Basic information
- Standard SMILES
CCOC(=O)C1(COc2ccc(-c3ncc(Cl)cn3)cc2)CCN(C(=O)c2ccc(F)cc2)C1- InChIKey
FYRRLEAJZDROEC-UHFFFAOYSA-N- Molecular formula
- C25H23ClFN3O4
- Average molar mass
- 483.9 g/mol
Names & identifiers
- Preferred name
- 3-[4-(5-Chloro-pyrimidin-2-yl)-phenoxymethyl]-1-(4-fluoro-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[4-(5-chloropyrimidin-2-yl)phenoxy]methyl]-1-(4-fluorobenzoyl)pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2438543FYRRLEAJZDROEC-UHFFFAOYSA-N3-[4-(5-Chloro-pyrimidin-2-yl)-phenoxymethyl]-1-(4-fluoro-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59322201
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 692
Related reactions
2 records
Compound notes
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