Tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
Basic information
- CAS
1774-78-3- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)N2C(=C1C)Sc1ccccc12- InChIKey
JZJYNCASQOVNOP-UHFFFAOYSA-N- Molecular formula
- C21H21NO8S
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.0987878
Names & identifiers
- Preferred name
- Tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
- IUPAC
- tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
Names & synonyms
1774-78-3NSC528684tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylateDTXSID10326465NSC-528684
Database identifiers
- CAS
1774-78-3- PubChem CID
- 352887
- DTXSID
DTXSID10326465
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 863
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Compound notes
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