Structure Info
- Chemspace ID
- CSMB00049827716 (Enamine MADE)
- CAS
- 2138282-39-8
- IUPAC Name
- 5-tert-butyl 3a-chloromethyl 2,2-dioxo-hexahydro-1H-2λ⁶-thieno[3,4-c]pyrrole-3a,5-dicarboxylate
- Mol formula
- C13H20ClNO6S
- Mol weight
- 354 Da
- Catalog Number(s)
- BBV-110028442, CSC049827716, EN300-719032, FCH9180096
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.08
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.84615384615385
- Polar surface area (Å)
- 90
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00049827716
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