Basic information
- Standard SMILES
CC(=O)c1cc(C)c(Oc2nc(Cl)nc3ccn(Cc4ccccc4)c23)c(C)c1- InChIKey
NSAYURZDLSAVFC-UHFFFAOYSA-N- Molecular formula
- C23H20ClN3O2
- Average molar mass
- 405.9 g/mol
Names & identifiers
- Preferred name
- 1-(4-(5-benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylphenyl)ethanone
- IUPAC
- 1-[4-(5-benzyl-2-chloropyrrolo[3,2-d]pyrimidin-4-yl)oxy-3,5-dimethylphenyl]ethanone
Names & synonyms
SCHEMBL1716464NSAYURZDLSAVFC-UHFFFAOYSA-N1-(4-(5-benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylphenyl)ethanone
Database identifiers
- PubChem CID
- 57693554
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
6 records
Compound notes
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