1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
Basic information
- Standard SMILES
Cn1c(=O)c2c(nc(N3CCCC(C(=O)NCCO)C3)n2Cc2c(F)cccc2Cl)n(C)c1=O- InChIKey
XPIVJQLGMIMUNF-UHFFFAOYSA-N- Molecular formula
- C22H26ClFN6O4
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 492.1688092
Names & identifiers
- Preferred name
- 1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
- IUPAC
- 1-[7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
Names & synonyms
SCHEMBL3897809XPIVJQLGMIMUNF-UHFFFAOYSA-N1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
Database identifiers
- PubChem CID
- 57565601
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
Related reactions
2 records
Compound notes
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