Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(-c4nnc(NC(C)(C)c5ccccc5)o4)ccc32)cc1- InChIKey
RTLBJWWVSHNUAF-UHFFFAOYSA-N- Molecular formula
- C32H35BN4O5S
- Average molar mass
- 598.5 g/mol
Names & identifiers
- Preferred name
- N-(2-phenylpropan-2-yl)-5-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-[1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-5-yl]-N-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
Names & synonyms
SCHEMBL12615304RTLBJWWVSHNUAF-UHFFFAOYSA-NN-(2-phenylpropan-2-yl)-5-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
Database identifiers
- PubChem CID
- 68328199
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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