Structure Info
- Chemspace ID
- CSMB00025788858 (Enamine MADE)
- CAS
- 2137713-22-3
- MFCD
- MFCD30735020
- IUPAC Name
- 2-tert-butyl 8-chloromethyl 6,6-dioxo-6λ⁶-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate
- Mol formula
- C13H20ClNO6S
- Mol weight
- 354 Da
- Catalog Number(s)
- BBV-110003525, CSC025788858, EN300-386985, FCH9165772
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.14
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.846
- Polar surface area (Å)
- 90
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025788858
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