Structure Info
- Chemspace ID
- CSMB00025788966 (Enamine MADE)
- CAS
- 2137032-62-1
- MFCD
- MFCD30734501
- IUPAC Name
- chloromethyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(isoquinolin-5-yl)propanoate
- Mol formula
- C18H21ClN2O4
- Mol weight
- 365 Da
- Catalog Number(s)
- BBV-118326553, CSC025788966, EN300-386457
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.1
- Heavy atoms count
- 25
- Rotatable bond count
- 8
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.388
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025788966
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