Tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
Basic information
- CAS
1982-90-7- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)N2C(=C1)[Se]c1ccccc12- InChIKey
LCLCEKKSQFMDBX-UHFFFAOYSA-N- Molecular formula
- C20H19NO8Se
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 481.02759
Names & identifiers
- Preferred name
- Tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
- IUPAC
- tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
Names & synonyms
1982-90-7NSC528686tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylateDTXSID70326466NSC-528686
Database identifiers
- CAS
1982-90-7- PubChem CID
- 352889
- DTXSID
DTXSID70326466
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 820
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Related reactions
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Compound notes
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