Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2c(C(=O)OCC)c(Cc3ccc(F)cc3)nc3c2C(=O)N2CCCC32)nn1- InChIKey
LVNIPVSAGNBGHM-UHFFFAOYSA-N- Molecular formula
- C27H25FN4O5
- Average molar mass
- 504.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[6-(ethoxycarbonyl)-3-pyridazinyl]-2-(4-fluorobenzyl)-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylate
- IUPAC
- ethyl 4-(6-ethoxycarbonylpyridazin-3-yl)-2-[(4-fluorophenyl)methyl]-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizine-3-carboxylate
Names & synonyms
SCHEMBL5642187LVNIPVSAGNBGHM-UHFFFAOYSA-NEthyl 4-[6-(ethoxycarbonyl)-3-pyridazinyl]-2-(4-fluorobenzyl)-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylateEthyl 4-[6-(ethoxycarbonyl)-3-pyridazinyl]-2-(4-fluorobenzyl)-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-alpha]pyrrolizine-3-carboxylate
Database identifiers
- PubChem CID
- 18442002
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Related reactions
2 records
Compound notes
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