Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCCC1C1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1- InChIKey
MBDPIJDSBJZNGV-UHFFFAOYSA-N- Molecular formula
- C26H29F3IN3O4
- Average molar mass
- 631.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 2-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl]piperidine-1-carboxylate
Names & synonyms
1415559-49-7tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylateMFCD23142959C26H29F3IN3O4CS-M1630AKOS037650947CS-15552SY273821[3-(1-Boc-2-piperidyl)-3-hydroxy-1-azetidinyl][3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]methanonetert-butyl 2-[1-[3,4-difluoro-2-(2-fluoro-4-iodo-anilino)benzoyl]-3-hydroxy-azetidin-3-yl]piperidine-1-carboxylatetert-butyl2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 72309764
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 840
Related reactions
2 records
Compound notes
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