8-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
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Basic information
- Standard SMILES
CC1CCCN1CCc1cc2cc(-c3c4c(nc5ccnn35)CCC4)ccc2o1- InChIKey
IVWWBSGNXQITSI-UHFFFAOYSA-N- Molecular formula
- C24H26N4O
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.21066147
Names & identifiers
- Preferred name
- 8-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
- IUPAC
- 2-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
Names & synonyms
SCHEMBL4955077IVWWBSGNXQITSI-UHFFFAOYSA-N8-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
Database identifiers
- PubChem CID
- 11625209
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
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Related reactions
2 records
Compound notes
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