1-(14h-Dibenzo[a,h]phenothiazin-14-yl)ethanone
Basic information
- CAS
4018-87-5- Standard SMILES
CC(=O)N1c2ccc3ccccc3c2Sc2ccc3ccccc3c21- InChIKey
REJMKKCKXXSOIC-UHFFFAOYSA-N- Molecular formula
- C22H15NOS
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08743528
Names & identifiers
- Preferred name
- 1-(14h-Dibenzo[a,h]phenothiazin-14-yl)ethanone
- IUPAC
- 1-(2-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-13-yl)ethanone
Names & synonyms
4018-87-51-(14h-dibenzo[a,h]phenothiazin-14-yl)ethanoneNSC52520DTXSID90287787NSC-525201-(14H-Dibenzo[a,h]phenothiazin-14-yl)ethan-1-one
Database identifiers
- CAS
4018-87-5- PubChem CID
- 243190
- DTXSID
DTXSID90287787
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
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Related reactions
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Compound notes
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