Tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
Basic information
- CAS
1911-83-7- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)N2C(C)=CSC2=C1- InChIKey
CIWPENFGWURRMG-UHFFFAOYSA-N- Molecular formula
- C17H19NO8S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.08313774
Names & identifiers
- Preferred name
- Tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
- IUPAC
- tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
Names & synonyms
1911-83-7NSC528683tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylateDTXSID50326464NSC-528683Tetramethyl 3-methyl-5,6-dihydro[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
Database identifiers
- CAS
1911-83-7- PubChem CID
- 352886
- DTXSID
DTXSID50326464
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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