Structure Info
- Chemspace ID
- CSSS14948297114 (In-Stock Screening Compounds)
- IUPAC Name
- methyl 2-{[3-chloro-4-(methylcarbamoyl)phenyl]amino}-5-cyanobenzoate
- Mol formula
- C17H14ClN3O3
- Mol weight
- 344 Da
- Catalog Number(s)
- Z8928951482, s_27____25560020____24646072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.25
- Heavy atoms count
- 24
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.117
- Polar surface area (Å)
- 91
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS14948297114
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