tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
Basic information
- CAS
1792-47-8- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2Sc3ccccc3N2C(C(=O)OC)=C1C(=O)OC- InChIKey
ZCVUVJOZSBBSQK-UHFFFAOYSA-N- Molecular formula
- C19H17NO8S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.06748767
Names & identifiers
- Preferred name
- tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
- IUPAC
- tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
Names & synonyms
1792-47-8tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylateNSC528688DTXSID90326468NSC-528688AN-970/40920630
Database identifiers
- CAS
1792-47-8- PubChem CID
- 352891
- DTXSID
DTXSID90326468- Nikkaji
- J3.017.333C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 817
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Compound notes
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