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Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1- InChIKey
GHYKUKDJCNGDPD-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2FN2O2
- Average molar mass
- 449.3 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
- IUPAC
- 3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL3376014
Database identifiers
- PubChem CID
- 68618655
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 682
Related reactions
6 records
Compound notes
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