Basic information
- Standard SMILES
CN1c2ccccc2Sc2cn(C)c(=O)c(C#N)c21- InChIKey
KWJIGHUTNKKWNQ-UHFFFAOYSA-N- Molecular formula
- C14H11N3OS
- Average molar mass
- 269.32 g/mol
Names & identifiers
- Preferred name
- 2,3-dihydro-2,5-dimethyl-3-oxo-5H-pyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
- IUPAC
- 2,5-dimethyl-3-oxopyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
Names & synonyms
CHEMBL166391SCHEMBL11466944KWJIGHUTNKKWNQ-UHFFFAOYSA-N2,3-dihydro-2,5-dimethyl-3-oxo-5H-pyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
Database identifiers
- PubChem CID
- 23342012
- ChEMBL
CHEMBL166391
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
Loading…