Structure Info
- Chemspace ID
- CSMB00025789282 (Enamine MADE)
- CAS
- 2137442-45-4
- MFCD
- MFCD30735218
- IUPAC Name
- 1-tert-butyl 2-chloromethyl 4-(aminomethyl)-2,3-dihydro-1H-indole-1,2-dicarboxylate
- Mol formula
- C16H21ClN2O4
- Mol weight
- 341 Da
- Catalog Number(s)
- BBV-110011333, CSC025789282, EN300-387183, FCH8975232
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.36
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789282
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