Basic information
- Standard SMILES
CN1C(=O)C[C@H](c2ccc(I)cc2)[C@@H]1[C@H](O)c1ccc(-c2ccccc2)s1- InChIKey
OBWIJWVOOVZSHI-ZPMCFJSWSA-N- Molecular formula
- C22H20INO2S
- Average molar mass
- 489.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-(4R*,5R*)-5-[(1S*)Hydroxy(5-phenyl(2-thienyl))methyl]-4-(4-iodophenyl)-1-methylpyrrolidin-2-one
- IUPAC
- (4R,5R)-5-[(S)-hydroxy-(5-phenylthiophen-2-yl)methyl]-4-(4-iodophenyl)-1-methylpyrrolidin-2-one
Names & synonyms
SCHEMBL6771843OBWIJWVOOVZSHI-ZPMCFJSWSA-N(+/-)-(4R*,5R*)-5-[(1S*)hydroxy(5-phenyl(2-thienyl))methyl]-4-(4-iodophenyl) -1-methylpyrrolidin-2-one(+/-)-(4R*,5R*)-5-[(1S*)Hydroxy(5-phenyl(2-thienyl))methyl]-4-(4-iodophenyl)-1-methylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 69891773
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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