Structure Info
- Chemspace ID
- CSMB00025788772 (Enamine MADE)
- CAS
- 2137985-42-1
- MFCD
- MFCD30734973
- IUPAC Name
- chloromethyl 1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
- Mol formula
- C14H21ClN4O4
- Mol weight
- 345 Da
- Catalog Number(s)
- BBV-110002297, CSC025788772, EN300-386937, FCH9165697
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.89
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.714
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025788772
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