Structure Info
- Chemspace ID
- CSMB00000680012 (Enamine MADE)
- CAS
- 325830-48-6
- MFCD
- MFCD09040947
- IUPAC Name
- 4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzoic acid
- Mol formula
- C17H23NO4S
- Mol weight
- 337 Da
- Catalog Number(s)
- 129054, AG019GJP, CS-2383, CSC000680012, CSCR00216631778, EN300-00396, PB53113212, Q69377, T010943, Y4045957, Z53035744, s_196680____11535928____7851278
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.9
- Heavy atoms count
- 23
- Rotatable bond count
- 2
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.588
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000680012
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