Basic information
- Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(F)(F)F)C3)n(C)c2n1- InChIKey
SUNBSPGMMWGJFB-UHFFFAOYSA-N- Molecular formula
- C24H27F3N8O
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.225992
Names & identifiers
- Preferred name
- 4-(9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-((3-(trifluoromethyl)pyrrolidin-1-yl)methyl)-9H-purin-6-yl)morpholine
- IUPAC
- 4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]purin-6-yl]morpholine
Names & synonyms
4-(9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-((3-(trifluoromethyl)pyrrolidin-1-yl)methyl)-9H-purin-6-yl)morpholineSCHEMBL2674488
Database identifiers
- PubChem CID
- 59605329
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 770
Related reactions
3 records
Compound notes
Loading…