Structure Info
- Chemspace ID
- CSMB06454657918 (Enamine MADE)
- CAS
- 2770517-64-9
- IUPAC Name
- methyl 2-{[(benzyloxy)carbonyl]amino}-5-cyanobenzoate
- Mol formula
- C17H14N2O4
- Mol weight
- 310 Da
- Catalog Number(s)
- BBV-684512242, EN300-37396668
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.41
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.117
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB06454657918
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