Basic information
- Standard SMILES
CN(C)C[C@@H](O)COC(C)(C)Cn1ccc(NC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)n1- InChIKey
VHPCPAOYJVKBGL-MXJRGQGSSA-N- Molecular formula
- C35H44Cl2F2N6O3
- Average molar mass
- 705.7 g/mol
- Monoisotopic mass
- 704.282001
Names & identifiers
- Preferred name
- rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-((R)-3-dimethylamino-2-hydroxy-propoxy)-2-methyl-propyl]-1H-pyrazol-3-yl)-amide
- IUPAC
- 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[1-[2-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]-2-methylpropyl]pyrazol-3-yl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Names & synonyms
VHPCPAOYJVKBGL-MXJRGQGSSA-Nrac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-((R)-3-dimethylamino-2-hydroxy-propoxy)-2-methyl-propyl]-1H-pyrazol-3-yl)-amide
Database identifiers
- PubChem CID
- 86640468
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
1 records
Compound notes
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