Basic information
- Standard SMILES
CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CNC3)cc1OCC2- InChIKey
WQXBSJQBQNJZJI-UHFFFAOYSA-N- Molecular formula
- C19H22N6O
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 9-(Azetidin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
- IUPAC
- 9-(azetidin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Names & synonyms
SCHEMBL12689429
Database identifiers
- PubChem CID
- 58204591
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
4 records
Compound notes
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