Basic information
- Standard SMILES
CC(=O)N[C@@H]1CCN(c2nc(C(C)(C)C)nc3c2nnn3Cc2ccccc2Cl)C1- InChIKey
FTKCBUDYIKIZDV-OAHLLOKOSA-N- Molecular formula
- C21H26ClN7O
- Average molar mass
- 427.9 g/mol
Names & identifiers
- Preferred name
- N-{(R)-1-[5-tert-Butyl-3-(2-chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-3-yl}-acetamide
- IUPAC
- N-[(3R)-1-[5-tert-butyl-3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-yl]acetamide
Names & synonyms
SCHEMBL14912073FTKCBUDYIKIZDV-OAHLLOKOSA-NN-{(R)-1-[5-tert-Butyl-3-(2-chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-3-yl}-acetamide
Database identifiers
- PubChem CID
- 86683370
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 615
Related reactions
2 records
Compound notes
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