Basic information
- Standard SMILES
O=c1nc(-c2cccc(SCc3ccccc3)n2)sc2ccccc12- InChIKey
AEVZLMOETRRKEP-UHFFFAOYSA-N- Molecular formula
- C20H14N2OS2
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 2-(6-Benzylthio-2-pyridyl)-4H-1,3-benzothiazine-4-one
- IUPAC
- 2-(6-benzylsulfanyl-2-pyridinyl)-1,3-benzothiazin-4-one
Names & synonyms
SCHEMBL2959169AEVZLMOETRRKEP-UHFFFAOYSA-N2-(6-Benzylthio-2-pyridyl)-4H-1,3-benzothiazine-4-one
Database identifiers
- PubChem CID
- 22939593
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Related reactions
5 records
Compound notes
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