methyl (2S,12bS)-2-(5-oxo-2H-furan-4-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Basic information
- CAS
5545-94-8- Standard SMILES
COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CCOC1=O- InChIKey
MHRCICBXWGKYFB-YJBOKZPZSA-N- Molecular formula
- C21H20N2O4
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.14230712
Names & identifiers
- Preferred name
- methyl (2S,12bS)-2-(5-oxo-2H-furan-4-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
- IUPAC
- methyl (2S,12bS)-2-(5-oxo-2H-furan-4-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Names & synonyms
CHEMBL5275930BDBM50608909
Database identifiers
- CAS
5545-94-8- PubChem CID
- 163194074
- ChEMBL
CHEMBL5275930
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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