Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3c2O/C(=C\c2c[nH]c4nc(-c5ccccc5)ccc24)C3=O)CC1- InChIKey
JMPSZUIUBPRWTR-PKAZHMFMSA-N- Molecular formula
- C32H32N4O5
- Average molar mass
- 552.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (Z)-4-({6-hydroxy-3-oxo-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(2Z)-6-hydroxy-3-oxo-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-7-yl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14887054JMPSZUIUBPRWTR-PKAZHMFMSA-Ntert-butyl (Z)-4-({6-hydroxy-3-oxo-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86682001
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 983
Related reactions
2 records
Compound notes
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