Basic information
- CAS
54167-94-1- Standard SMILES
CC(=O)NC1Sc2ccccc2N=C1c1ccccc1- InChIKey
XOWGAZQAVFPSEI-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- N-(3-phenyl-2H-1,4-benzothiazin-2-yl)acetamide
- IUPAC
- N-(3-phenyl-2H-1,4-benzothiazin-2-yl)acetamide
Names & synonyms
N-(3-phenyl-2H-1,4-benzothiazin-2-yl)acetamideMLS000071691N-(3-Phenyl-2H-benzo[1,4]thiazin-2-yl)-acetamideCHEMBL1490654DTXSID201248554HMS1677J12HMS2169D0554167-94-1SMR000008705AE-848/09353006
Database identifiers
- CAS
54167-94-1- PubChem CID
- 655408
- DTXSID
DTXSID201248554- ChEMBL
CHEMBL1490654
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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