2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
Structure Info
- Chemspace ID
- CSSB03438775213 (In-Stock Building Blocks)
- CAS
- 354788-07-1
- MFCD
- MFCD02109725
- IUPAC Name
- 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
- Mol formula
- C21H18BrN3O2S
- Mol weight
- 456 Da
- Catalog Number(s)
- EN300-20224280, ST0GSF25
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.75
- Heavy atoms count
- 28
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB03438775213
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