Basic information
- Standard SMILES
CSc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1- InChIKey
BUUBCROLVQFZAY-MRXNPFEDSA-N- Molecular formula
- C23H25NO2S
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.16060021
Names & identifiers
- Preferred name
- (2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)[4-(methylthio)phenyl]methanone
- IUPAC
- [2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-(4-methylsulfanylphenyl)methanone
Names & synonyms
SCHEMBL2786158BUUBCROLVQFZAY-MRXNPFEDSA-N(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)[4-(methylthio)phenyl]methanone
Database identifiers
- PubChem CID
- 10271095
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Related reactions
1 records
Compound notes
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