Basic information
- Standard SMILES
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CC(F)C1)c1ccc(F)cc1F- InChIKey
DYUOUVNMDKNYIW-UBFVSLLYSA-N- Molecular formula
- C28H30F3N3O3
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- (3R,6R)-1-[(1R)-1-(2,4-Difluorophenyl)-2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutylpiperazine-2,5-dione
- IUPAC
- (3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
Names & synonyms
SCHEMBL3929370DYUOUVNMDKNYIW-UBFVSLLYSA-N(3R,6R)-1-[(1R)-1-(2,4-Difluorophenyl)-2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutylpiperazine-2,5-dione
Database identifiers
- PubChem CID
- 11226041
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 868
Related reactions
2 records
Compound notes
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