[2-oxo-2-(10H-phenothiazin-2-yl)ethyl] 2-acetyloxybenzoate
Basic information
- CAS
58754-59-9- Standard SMILES
CC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)Nc1ccccc1S2- InChIKey
FESIQPQLWBHTEZ-UHFFFAOYSA-N- Molecular formula
- C23H17NO5S
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.08274382
Names & identifiers
- Preferred name
- [2-oxo-2-(10H-phenothiazin-2-yl)ethyl] 2-acetyloxybenzoate
- IUPAC
- [2-oxo-2-(10H-phenothiazin-2-yl)ethyl] 2-acetyloxybenzoate
Names & synonyms
58754-59-9[2-oxo-2-(10H-phenothiazin-2-yl)ethyl] 2-acetyloxybenzoateNSC279828DTXSID10314009NSC-2798282-Oxo-2-(10H-phenothiazin-2-yl)ethyl 2-(acetyloxy)benzoate
Database identifiers
- CAS
58754-59-9- PubChem CID
- 322398
- DTXSID
DTXSID10314009
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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