2H-1,4-Benzothiazine-2-carboxylic acid, 2-methyl-3-phenyl-, ethyl ester
Basic information
- CAS
92978-99-9- Standard SMILES
CCOC(=O)C1(C)Sc2ccccc2N=C1c1ccccc1- InChIKey
UGHPKSQTFOMNGA-UHFFFAOYSA-N- Molecular formula
- C18H17NO2S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.09799996
Names & identifiers
- Preferred name
- 2H-1,4-Benzothiazine-2-carboxylic acid, 2-methyl-3-phenyl-, ethyl ester
- IUPAC
- ethyl 2-methyl-3-phenyl-1,4-benzothiazine-2-carboxylate
Names & synonyms
92978-99-92H-1,4-Benzothiazine-2-carboxylic acid, 2-methyl-3-phenyl-, ethyl esterDTXSID40326615RefChem:267923DTXCID30277728NSC604292ethyl 2-methyl-3-phenyl-2H-1,4-benzothiazine-2-carboxylateNSC-604292
Database identifiers
- CAS
92978-99-9- PubChem CID
- 354061
- DTXSID
DTXSID40326615
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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