Structure Info
- Chemspace ID
- CSMB00025789585 (Enamine MADE)
- CAS
- 2137459-01-7
- MFCD
- MFCD30735374
- IUPAC Name
- 1-tert-butyl 2-chloromethyl 4-bromo-7-methoxy-2,3-dihydro-1H-indole-1,2-dicarboxylate
- Mol formula
- C16H19BrClNO5
- Mol weight
- 421 Da
- Catalog Number(s)
- BBV-118327110, CSC025789585, EN300-387340
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.85
- Heavy atoms count
- 24
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 65
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789585
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