Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Sc2ccccc2OC(F)(F)F)C[C@H]1C(=O)NC1(C#N)CC1- InChIKey
LPQWGIBTYYUBDN-KGLIPLIRSA-N- Molecular formula
- C21H24F3N3O4S
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-tert-butyl 2-(1-cyanocyclopropylcarbamoyl)-4-(2-(trifluoromethoxy)phenylthio)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-[2-(trifluoromethoxy)phenyl]sulfanylpyrrolidine-1-carboxylate
Names & synonyms
(2S,4R)-tert-butyl 2-(1-cyanocyclopropylcarbamoyl)-4-(2-(trifluoromethoxy)phenylthio)pyrrolidine-1-carboxylateSCHEMBL2107599(2S,4R)-2-(1-cyano-cyclopropylcarbamoyl)-4-(2-trifluoromethoxy-phenylsulfanyl)-pyrrolidine-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 67278971
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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