Basic information
- Standard SMILES
CC(=O)Oc1cc2c(c3ccccc13)Nc1ccccc1S2=O- InChIKey
TZUGLDMRGIQDJP-UHFFFAOYSA-N- Molecular formula
- C18H13NO3S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.06161445
Names & identifiers
- Preferred name
- 5-Acetoxy-12H-benzo[a]phenothiazine-7-oxide
- IUPAC
- (7-oxo-12H-benzo[a]phenothiazin-5-yl) acetate
Names & synonyms
SCHEMBL10501052TZUGLDMRGIQDJP-UHFFFAOYSA-N5-Acetoxy-12H-benzo[a]phenothiazine-7-oxide
Database identifiers
- PubChem CID
- 13712481
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 497
Related reactions
3 records
Compound notes
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