Basic information
- Standard SMILES
Cc1ccc2c(/C=C3\Oc4c(cc(Cl)c(O)c4CN4CCN(C(=O)OC(C)(C)C)CC4)C3=O)c[nH]c2n1- InChIKey
MCIRKXZEZVYSOI-NHDPSOOVSA-N- Molecular formula
- C27H29ClN4O5
- Average molar mass
- 525 g/mol
Names & identifiers
- Preferred name
- tert-butyl (Z)-4-({5-chloro-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-3-oxo-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(2Z)-5-chloro-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14887053MCIRKXZEZVYSOI-NHDPSOOVSA-Ntert-butyl (Z)-4-({5-chloro-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-3-oxo-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86682008
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 902
Related reactions
1 records
Compound notes
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