Basic information
- Standard SMILES
O=C1Nc2ccccc2SC1CCN1C=CN(c2ccc(F)cc2)C=C1- InChIKey
AFFFIUPJSTZUEJ-UHFFFAOYSA-N- Molecular formula
- C20H18FN3OS
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-[4-(4-fluorophenyl)-1-pyrazinyl]ethyl]-2H-1,4-benzothiazin-3(4H)-one
- IUPAC
- 2-[2-[4-(4-fluorophenyl)pyrazin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
Names & synonyms
SCHEMBL10734753AFFFIUPJSTZUEJ-UHFFFAOYSA-N2-[2-[4-(4-fluorophenyl)-1-pyrazinyl]ethyl]-2H-1,4-benzothiazin-3(4H)-one
Database identifiers
- PubChem CID
- 20220108
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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