Basic information
- Standard SMILES
Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2oc(C#N)c(Cc3ccccc3)c2c1- InChIKey
OYVRIUKSZVQWMG-UHFFFAOYSA-N- Molecular formula
- C26H29N3O3
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Benzyl-2-cyano-5-methyl-benzofuran-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(3-benzyl-2-cyano-5-methyl-1-benzofuran-7-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL3296291OYVRIUKSZVQWMG-UHFFFAOYSA-N4-(3-benzyl-2-cyano-5-methyl-benzofuran-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59344912
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
4 records
Compound notes
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