Structure Info
- Chemspace ID
- CSMB00025789573 (Enamine MADE)
- CAS
- 2137470-95-0
- MFCD
- MFCD30735363
- IUPAC Name
- 2-tert-butyl 1-chloromethyl 6-cyano-1,2,3,4-tetrahydroisoquinoline-1,2-dicarboxylate
- Mol formula
- C17H19ClN2O4
- Mol weight
- 351 Da
- Catalog Number(s)
- BBV-118327030, CSC025789573, EN300-387328
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.16
- Heavy atoms count
- 24
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.47
- Polar surface area (Å)
- 80
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789573
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