Structure Info
- Chemspace ID
- CSCS06645154955 (Synthesis)
- MFCD
- MFCD06640922
- IUPAC Name
- ethyl 2-[(2Z,5S)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
- Mol formula
- C21H16BrN3O5S
- Mol weight
- 502 Da
- Catalog Number(s)
- 7016780600
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.06
- Heavy atoms count
- 31
- Rotatable bond count
- 7
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.19
- Polar surface area (Å)
- 114
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS06645154955
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