Basic information
- Standard SMILES
CC(C)CN(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
SYOWVURPWUTZFO-LBNVMWSVSA-N- Molecular formula
- C32H38Cl2FN3O4
- Average molar mass
- 618.6 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}-isobutyl-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-(2-methylpropyl)carbamate
Names & synonyms
SCHEMBL1988853CHEMBL3944417SYOWVURPWUTZFO-LBNVMWSVSA-NBDBM233199US9346786, 3rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl esterrac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl ester
Database identifiers
- PubChem CID
- 53247233
- ChEMBL
CHEMBL3944417
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 981
Related reactions
1 records
Compound notes
Loading…