Structure Info
- Chemspace ID
- CSMB02134449669 (Enamine MADE)
- CAS
- 2580219-56-1
- IUPAC Name
- 8-{[(tert-butoxy)carbonyl]amino}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
- Mol formula
- C15H19NO6
- Mol weight
- 309 Da
- Catalog Number(s)
- BBV-254158081, EN300-27723576
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.11
- Heavy atoms count
- 22
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.466
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB02134449669
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