(4S,7S)-4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid [1-(4-methoxy-phenyl)ethyl]-amide
Basic information
- Standard SMILES
CCC[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)NC(C)c1ccc(OC)cc1)[C@H]2c1cc(Br)c(O)c(OCC)c1- InChIKey
DOJVWQTUYMHAKY-LQBDUXKPSA-N- Molecular formula
- C31H37BrN2O5
- Average molar mass
- 597.5 g/mol
Names & identifiers
- Preferred name
- (4S,7S)-4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid [1-(4-methoxy-phenyl)ethyl]-amide
- IUPAC
- (4S,7S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Names & synonyms
SCHEMBL2464295DOJVWQTUYMHAKY-LQBDUXKPSA-N(4S,7S)-4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid [1-(4-methoxy-phenyl)ethyl]-amide
Database identifiers
- PubChem CID
- 67418207
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 957
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Related reactions
1 records
Compound notes
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