Basic information
- Standard SMILES
Cc1cc([C@](C)(O)C#Cc2ccc3nc(OC4COC4)n(-c4ccnc(N)n4)c3c2)no1- InChIKey
DYPHJTQFYILWJT-JOCHJYFZSA-N- Molecular formula
- C22H20N6O4
- Average molar mass
- 432.4 g/mol
Names & identifiers
- Preferred name
- (2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
- IUPAC
- (2R)-4-[3-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)benzimidazol-5-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
Names & synonyms
SCHEMBL11970794DYPHJTQFYILWJT-JOCHJYFZSA-N(2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
Database identifiers
- PubChem CID
- 68181762
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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