Structure Info
- Chemspace ID
- CSCS06744511858 (Synthesis)
- CAS
- 1797813-13-8
- IUPAC Name
- 8-[(5-fluoro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
- Mol formula
- C16H16FN5O3
- Mol weight
- 345 Da
- Catalog Number(s)
- Z1579734795
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.91
- Heavy atoms count
- 25
- Rotatable bond count
- 2
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.312
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS06744511858
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