Basic information
- CAS
101809-61-4- Standard SMILES
CCOC(=O)C(CC1=NC(C)(C)c2ccccc2S1)(NC(C)=O)C(=O)OCC- InChIKey
RSOUUILAPWMSFZ-UHFFFAOYSA-N- Molecular formula
- C20H26N2O5S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.15624311
Names & identifiers
- Preferred name
- Malonic acid, 2-acetamido-2-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-, diethyl ester
- IUPAC
- diethyl 2-acetamido-2-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]propanedioate
Names & synonyms
Malonic acid, 2-acetamido-2-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-, diethyl ester101809-61-4DTXSID801441932-Acetamido-2-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)malonic acid diethyl esterRefChem:351836DTXCID8066684Diethyl acetamido[(4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl]propanedioate
Database identifiers
- CAS
101809-61-4- PubChem CID
- 58894
- DTXSID
DTXSID80144193- Nikkaji
- J61.658C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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