Structure Info
- Chemspace ID
- CSMB00025789592 (Enamine MADE)
- CAS
- 2137471-32-8
- MFCD
- MFCD30735381
- IUPAC Name
- 1-tert-butyl 2-chloromethyl 6-ethyl-2,3-dihydro-1H-indole-1,2-dicarboxylate
- Mol formula
- C17H22ClNO4
- Mol weight
- 340 Da
- Catalog Number(s)
- BBV-110016510, CSC025789592, EN300-387347, FCH9179854
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.2
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.529
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789592
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