Basic information
- Standard SMILES
N#Cc1c2c(c[nH]c1=O)Sc1ccc(Cl)cc1N2- InChIKey
FVYVSRNJVJCWDT-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3OS
- Average molar mass
- 275.71 g/mol
Names & identifiers
- Preferred name
- 7-chloro-2,3-dihydro-3-oxo-5H-pyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
- IUPAC
- 7-chloro-3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
Names & synonyms
CHEMBL169918SCHEMBL11449619FVYVSRNJVJCWDT-UHFFFAOYSA-N7-chloro-2,3-dihydro-3-oxo-5H-pyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
Database identifiers
- PubChem CID
- 23342016
- ChEMBL
CHEMBL169918
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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