Basic information
- Standard SMILES
CC(C)c1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OB(c2ccccc2)O1- InChIKey
BUPMQTZQXMAGGP-FIRIVFDPSA-N- Molecular formula
- C36H41BFNO4
- Average molar mass
- 581.5 g/mol
- Monoisotopic mass
- 581.3112671
Names & identifiers
- Preferred name
- t-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl)acetate
- IUPAC
- tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2-phenyl-1,3,2-dioxaborinan-4-yl]acetate
Names & synonyms
SCHEMBL917338BUPMQTZQXMAGGP-FIRIVFDPSA-Nt-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl)acetate
Database identifiers
- PubChem CID
- 58112769
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 862
Related reactions
1 records
Compound notes
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