Structure Info
- Chemspace ID
- CSMB00025788624 (Enamine MADE)
- CAS
- 2137729-28-1
- MFCD
- MFCD30734869
- IUPAC Name
- chloromethyl 1-(4-{[(tert-butoxy)carbonyl]amino}butyl)-1H-1,2,3-triazole-4-carboxylate
- Mol formula
- C13H21ClN4O4
- Mol weight
- 333 Da
- Catalog Number(s)
- BBV-109998851, CSC025788624, EN300-386832, FCH9165567
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.1
- Heavy atoms count
- 22
- Rotatable bond count
- 10
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.692
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025788624
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