Basic information
- CAS
80820-34-4- Standard SMILES
O=C(CN1CCCCCC1)N1c2ccccc2Sc2ccccc21- InChIKey
AFMMLOHZMBEPQA-UHFFFAOYSA-N- Molecular formula
- C20H22N2OS
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.1452845
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)-1-(10H-phenothiazin-10-yl)ethanone
- IUPAC
- 2-(azepan-1-yl)-1-phenothiazin-10-ylethanone
Names & synonyms
80820-34-42-(Azepan-1-yl)-1-(10H-phenothiazin-10-yl)ethanone2-Azepan-1-yl-1-phenothiazin-10-yl-ethanoneMLS000765849CHEMBL1309609DTXSID301352423HMS2702J17AKOS000570361SMR000278955ST502484152-(1-Azepanyl)-1-(10H-phenothiazin-10-yl)ethanone2-azaperhydroepinyl-1-phenothiazin-10-ylethan-1-one
Show more names
2-(Azepan-1-yl)-1-(10H-phenothiazin-10-yl)ethan-1-one
Database identifiers
- CAS
80820-34-4- PubChem CID
- 856421
- DTXSID
DTXSID301352423- ChEMBL
CHEMBL1309609
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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