Structure Info
- Chemspace ID
- CSMB00025789380 (Enamine MADE)
- CAS
- 2137994-43-3
- MFCD
- MFCD30735281
- IUPAC Name
- chloromethyl 3-(2-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
- Mol formula
- C17H23BrClNO4
- Mol weight
- 421 Da
- Catalog Number(s)
- BBV-118326972, CSC025789380, EN300-387246
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.99
- Heavy atoms count
- 24
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.529
- Polar surface area (Å)
- 65
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789380
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