Basic information
- Standard SMILES
CCN(CC)C1CCN(C(=O)c2c(C)nn(-c3ccccc3-c3cc4ccccc4o3)c2C)C1- InChIKey
DURDSUWUBZAPRH-UHFFFAOYSA-N- Molecular formula
- C28H32N4O2
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.25252628
Names & identifiers
- Preferred name
- [1-(3-Benzofuran-2-yl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-(3-diethylamino-pyrrolidin-1-yl)-methanone
- IUPAC
- [1-[2-(1-benzofuran-2-yl)phenyl]-3,5-dimethylpyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL2200044DURDSUWUBZAPRH-UHFFFAOYSA-N[1-(3-Benzofuran-2-yl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-(3-diethylamino-pyrrolidin-1-yl)-methanone
Database identifiers
- PubChem CID
- 67314630
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
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