2H-Pyrrol-2-one, 4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
Basic information
- CAS
512176-59-9- Standard SMILES
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1- InChIKey
GXAKUDFZGVEXGU-UHFFFAOYSA-N- Molecular formula
- C18H20BrNO3
- Average molar mass
- 378.3 g/mol
Names & identifiers
- Preferred name
- 2H-Pyrrol-2-one, 4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
- IUPAC
- 3-acetyl-1-(4-bromophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
- English name
- 2H-Pyrrol-2-one, 4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
- Molecular formula
- C18H20BrNO3
- Molecular weight
- 378.26
Names & synonyms
512176-59-92H-Pyrrol-2-one, 4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-CHEMBL4457687SCHEMBL6780248BDBM505180852H-Pyrrol-2-one,4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-3-acetyl-1-(4-bromophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
Database identifiers
- CAS
512176-59-9- ChEMBL
CHEMBL4457687
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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