4-(2-methylbutanoyl)-1λ⁶,4,5-thiadiazepane-1,1-dione
Structure Info
- Chemspace ID
- CSMB00117958242 (Enamine MADE)
- IUPAC Name
- 4-(2-methylbutanoyl)-1λ⁶,4,5-thiadiazepane-1,1-dione
- Mol formula
- C9H18N2O3S
- Mol weight
- 234 Da
- Catalog Number(s)
- BBV-117236801, CSC117958242, CSCR01184991780, Z3060275101, m_22_13774654_505562, m_22____13774654____505562
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.53
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.88888888888889
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00117958242
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