Basic information
- Standard SMILES
CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1- InChIKey
WZOHVHWFEFOENV-JYFHCDHNSA-N- Molecular formula
- C30H34Cl2FN3O4
- Average molar mass
- 590.5 g/mol
Names & identifiers
- Preferred name
- rac-{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-ethyl-carbamic acid 4-fluoro-phenyl ester
- IUPAC
- (4-fluorophenyl) N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Names & synonyms
SCHEMBL1987349CHEMBL3935468WZOHVHWFEFOENV-JYFHCDHNSA-NBDBM233197US9346786, 1US9346786, 5rac-{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-ethyl-carbamic acid 4-fluoro-phenyl ester
Database identifiers
- PubChem CID
- 53247231
- ChEMBL
CHEMBL3935468
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 936
Related reactions
2 records
Compound notes
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