Structure Info
- Chemspace ID
- CSMB20539823728 (Enamine MADE)
- IUPAC Name
- 3,5-dimethyl 4-(3-bromo-5-chloro-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Mol formula
- C17H17BrClNO5
- Mol weight
- 431 Da
- Catalog Number(s)
- EN300-52206484
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.94
- Heavy atoms count
- 25
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.294
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB20539823728
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