4-(3,3,3-trifluoropropanoyl)-1λ⁶,4,5-thiadiazepane-1,1-dione
Structure Info
- Chemspace ID
- CSMB00123053878 (Enamine MADE)
- IUPAC Name
- 4-(3,3,3-trifluoropropanoyl)-1λ⁶,4,5-thiadiazepane-1,1-dione
- Mol formula
- C7H11F3N2O3S
- Mol weight
- 260 Da
- Catalog Number(s)
- BBV-117240179, CSC123053878, CSCR01184991730, Z3060274183, m_22_13774654_1720042, m_22____13774654____1720042
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.15
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.85714285714286
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00123053878
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