Basic information
- Standard SMILES
CN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)CCC(N)=O)C[C@@H]1c1ccc(Cl)c(Cl)c1- InChIKey
NWEPWOBQGIKHND-APWZRJJASA-N- Molecular formula
- C22H22Cl2FN3O4
- Average molar mass
- 482.3 g/mol
Names & identifiers
- Preferred name
- rac-[(3R,4S)-1-(3-carbamoyl-propionyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid 4-fluoro-phenyl ester
- IUPAC
- (4-fluorophenyl) N-[(3R,4S)-1-(4-amino-4-oxobutanoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL1974769NWEPWOBQGIKHND-APWZRJJASA-Nrac-[(3R,4S)-1-(3-carbamoyl-propionyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid 4-fluoro-phenyl ester
Database identifiers
- PubChem CID
- 58302995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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