Structure Info
- Chemspace ID
- CSCS03549794742 (Synthesis)
- IUPAC Name
- methyl (2E)-3-[benzyl(2-carbamoylethyl)amino]-2-cyanoprop-2-enoate
- Mol formula
- C15H17N3O3
- Mol weight
- 287 Da
- Catalog Number(s)
- BBV-109608452
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.94
- Heavy atoms count
- 21
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.266
- Polar surface area (Å)
- 96
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS03549794742
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