Structure Info
- Chemspace ID
- CSCS06645156376 (Synthesis)
- MFCD
- MFCD03715600
- IUPAC Name
- ethyl (4R)-4-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Mol formula
- C25H31NO5
- Mol weight
- 426 Da
- Catalog Number(s)
- 7216450009, 8014-8280
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.5
- Heavy atoms count
- 31
- Rotatable bond count
- 8
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.44
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS06645156376
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