Structure Info
- Chemspace ID
- CSMB00025789082 (Enamine MADE)
- CAS
- 2137442-34-1
- MFCD
- MFCD30735131
- IUPAC Name
- 7-tert-butyl 6-chloromethyl 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6,7-dicarboxylate
- Mol formula
- C13H19ClN4O4
- Mol weight
- 331 Da
- Catalog Number(s)
- BBV-110007462, CSC025789082, EN300-387096, FCH9172711
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.43
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.692
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789082
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