Basic information
- CAS
66155-38-2- Standard SMILES
CCOC(=O)CCCC1=C(C(=O)OCC)Sc2ccccc2N1- InChIKey
SLKFQNDFZIWIBE-UHFFFAOYSA-N- Molecular formula
- C17H21NO4S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.11912932
Names & identifiers
- Preferred name
- Ethyl 3-(4-ethoxy-4-oxobutyl)-4H-1,4-benzothiazine-2-carboxylate
- IUPAC
- ethyl 3-(4-ethoxy-4-oxobutyl)-4H-1,4-benzothiazine-2-carboxylate
Names & synonyms
66155-38-2DTXSID20494866Ethyl 3-(4-ethoxy-4-oxobutyl)-4H-1,4-benzothiazine-2-carboxylateRefChem:343188DTXCID20445676
Database identifiers
- CAS
66155-38-2- PubChem CID
- 12371650
- DTXSID
DTXSID20494866
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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