3-(1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
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Basic information
- CAS
574702-55-9- Standard SMILES
Cc1ccc(C)c(-n2nc(-c3cc4ccccc4o3)c3c2NCCCC3)c1- InChIKey
PNUIYKPPERUXMT-UHFFFAOYSA-N- Molecular formula
- C23H23N3O
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
- IUPAC
- 3-(1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
- English name
- Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1-(2,5-dimethylphenyl)-1,4,5,6,7,8-hexahydro- (9CI)
- Molecular formula
- C23H23N3O
- Molecular weight
- 357.45
Names & synonyms
574702-55-9DB-327334PYRAZOLO[3,4-B]AZEPINE, 3-(2-BENZOFURANYL)-1-(2,5-DIMETHYLPHENYL)-1,4,5,6,7,8-HEXAHYDRO-Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1-(2,5-dimethylphenyl)-1,4,5,6,7,8-hexahydro- (9CI)
Database identifiers
- CAS
574702-55-9
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
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Compound notes
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