ethyl 3-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinoline-6-carbonyl)benzoate
Basic information
- Standard SMILES
CCOC(=O)c1cccc(C(=O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)c1- InChIKey
JWGUUGBELHYIJE-LXFBAYGMSA-N- Molecular formula
- C28H27FN2O3
- Average molar mass
- 458.5 g/mol
Names & identifiers
- Preferred name
- ethyl 3-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinoline-6-carbonyl)benzoate
- IUPAC
- ethyl 3-[(5aR,6S)-1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinoline-6-carbonyl]benzoate
Names & synonyms
SCHEMBL2541861JWGUUGBELHYIJE-LXFBAYGMSA-Nethyl 3-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinoline-6-carbonyl)benzoate
Database identifiers
- PubChem CID
- 67445249
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
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Related reactions
1 records
Compound notes
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