Structure Info
- Chemspace ID
- CSMB00025789476 (Enamine MADE)
- CAS
- 2137727-16-1
- MFCD
- MFCD30734771
- IUPAC Name
- chloromethyl 2-[2-({[(tert-butoxy)carbonyl]amino}methyl)-1H-1,3-benzodiazol-1-yl]acetate
- Mol formula
- C16H20ClN3O4
- Mol weight
- 354 Da
- Catalog Number(s)
- BBV-118326357, CSC025789476, EN300-386732
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.41
- Heavy atoms count
- 24
- Rotatable bond count
- 8
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.437
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789476
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