Basic information
- Standard SMILES
CCOC(=O)C1(COc2ccc(-c3ncc(Cl)cn3)cc2)CCN(C(=O)c2ccccc2OCC)C1- InChIKey
HYSMQRRBAGAAEH-UHFFFAOYSA-N- Molecular formula
- C27H28ClN3O5
- Average molar mass
- 510 g/mol
Names & identifiers
- Preferred name
- 3-[4-(5-Chloro-pyrimidin-2-yl)-phenoxymethyl]-1-(2-ethoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[4-(5-chloropyrimidin-2-yl)phenoxy]methyl]-1-(2-ethoxybenzoyl)pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2435180HYSMQRRBAGAAEH-UHFFFAOYSA-N3-[4-(5-Chloro-pyrimidin-2-yl)-phenoxymethyl]-1-(2-ethoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59322191
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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