Basic information
- CAS
66155-36-0- Standard SMILES
COC(=O)C1=C(Cc2ccccc2)Nc2ccccc2S1- InChIKey
HVYKHRZDHOOKSP-UHFFFAOYSA-N- Molecular formula
- C17H15NO2S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.08234989
Names & identifiers
- Preferred name
- Methyl 3-benzyl-4H-1,4-benzothiazine-2-carboxylate
- IUPAC
- methyl 3-benzyl-4H-1,4-benzothiazine-2-carboxylate
Names & synonyms
Methyl 3-benzyl-4H-1,4-benzothiazine-2-carboxylate66155-36-0DTXSID60494865RefChem:354876DTXCID60445675
Database identifiers
- CAS
66155-36-0- PubChem CID
- 12371649
- DTXSID
DTXSID60494865
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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