Structure Info
- Chemspace ID
- CSCS06373560535 (Synthesis)
- IUPAC Name
- chloromethyl 5-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]-4H-1,2,4-triazole-3-carboxylate
- Mol formula
- C13H19ClN4O4
- Mol weight
- 331 Da
- Catalog Number(s)
- BBV-638146176
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.22
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.692
- Polar surface area (Å)
- 97
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS06373560535
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