Basic information
- Standard SMILES
Cl.Cl.Cl.O=C1/C(=C/c2c[nH]c3nc(-c4ccccc4)ccc23)Oc2c1ccc(O)c2CN1CCNCC1- InChIKey
MQHSYFJTHVRXRU-ULKPTJCFSA-N- Molecular formula
- C27H27Cl3N4O3
- Average molar mass
- 561.9 g/mol
Names & identifiers
- Preferred name
- (Z)-6-hydroxy-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one trihydrochloride
- IUPAC
- (2Z)-6-hydroxy-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;trihydrochloride
Names & synonyms
SCHEMBL14735370MQHSYFJTHVRXRU-ULKPTJCFSA-N(Z)-6-hydroxy-2-[(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one trihydrochloride
Database identifiers
- PubChem CID
- 86682002
Properties
Computed structural properties
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
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