Basic information
- Standard SMILES
CCOC(=O)C1(COc2cnc(-c3ccc(Cl)cc3)cn2)CCN(C(=O)c2ccc(Cl)cc2)C1- InChIKey
OZEGFWPQKASXNO-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N3O4
- Average molar mass
- 500.4 g/mol
- Monoisotopic mass
- 499.1065616
Names & identifiers
- Preferred name
- 1-(4-Chloro-benzoyl)-3-[5-(4-chloro-phenyl)-pyrazin-2-yloxymethyl]-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(4-chlorobenzoyl)-3-[[5-(4-chlorophenyl)pyrazin-2-yl]oxymethyl]pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2438630OZEGFWPQKASXNO-UHFFFAOYSA-N1-(4-Chloro-benzoyl)-3-[5-(4-chloro-phenyl)-pyrazin-2-yloxymethyl]-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59322166
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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