Basic information
- Standard SMILES
CCOC(=O)C1(COc2ccc(-c3ccc(Cl)cn3)cc2)CCN(C(=O)c2ccc(Cl)cc2)C1- InChIKey
RQZFCFZNPODCBZ-UHFFFAOYSA-N- Molecular formula
- C26H24Cl2N2O4
- Average molar mass
- 499.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chloro-benzoyl)-3-[4-(5-chloro-pyridin-2-yl)-phenoxymethyl]-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(4-chlorobenzoyl)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2436344RQZFCFZNPODCBZ-UHFFFAOYSA-N1-(4-Chloro-benzoyl)-3-[4-(5-chloro-pyridin-2-yl)-phenoxymethyl]-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59322215
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
Loading…