Basic information
- Standard SMILES
Cl.N[C@@H](Cc1cc(F)cc(F)c1)c1nc(-n2cncn2)ncc1-c1ccc2c(c1)C(=O)NC2- InChIKey
GJZXLVBVTHJAAA-FYZYNONXSA-N- Molecular formula
- C22H18ClF2N7O
- Average molar mass
- 469.9 g/mol
Names & identifiers
- Preferred name
- (S)-6-(4-(1-amino-2-(3,5-difluorophenyl)ethyl)-2-(1H-1,2,4-triazol-1-yl)pyrimidin-5-yl)isoindolin-1-one hydrochloride
- IUPAC
- 6-[4-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;hydrochloride
Names & synonyms
SCHEMBL15875601GJZXLVBVTHJAAA-FYZYNONXSA-N(S)-6-(4-(1-amino-2-(3,5-difluorophenyl)ethyl)-2-(1H-1,2,4-triazol-1-yl)pyrimidin-5-yl)isoindolin-1-one hydrochloride
Database identifiers
- PubChem CID
- 90281586
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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