1-Benzo[a]phenothiazin-12-ylethanone
Basic information
- CAS
7310-85-2- Standard SMILES
CC(=O)N1c2ccccc2Sc2ccc3ccccc3c21- InChIKey
WTGSGOWXQKIPQO-UHFFFAOYSA-N- Molecular formula
- C18H13NOS
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.07178521
Names & identifiers
- Preferred name
- 1-Benzo[a]phenothiazin-12-ylethanone
- IUPAC
- 1-benzo[a]phenothiazin-12-ylethanone
Names & synonyms
MLS0031154367310-85-2NSC271925CHEMBL2141988DTXSID90313535NSC-271925SMR0018310121-(12H-Benzo[a]phenothiazin-12-yl)ethan-1-one
Database identifiers
- CAS
7310-85-2- PubChem CID
- 321405
- DTXSID
DTXSID90313535- ChEMBL
CHEMBL2141988
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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