Basic information
- CAS
3929-79-1- Standard SMILES
CC(=O)N1c2ccc3ccccc3c2S(=O)(=O)c2ccc3ccccc3c21- InChIKey
HMZGPLZRACMDAI-UHFFFAOYSA-N- Molecular formula
- C22H15NO3S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.07726451
Names & identifiers
- Preferred name
- 1-(7,7-Dioxido-14h-dibenzo[a,h]phenothiazin-14-yl)ethanone
- IUPAC
- 1-(2,2-dioxo-2λ6-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
1-(7,7-dioxido-14h-dibenzo[a,h]phenothiazin-14-yl)ethanone3929-79-1NSC52526NSC 525261-(7,7-Dioxido-14H-dibenzo(a,h)phenothiazin-14-yl)ethanone1-(dioxo[?]yl)ethanoneDTXSID20287790NSC-5252614H-Dibenzo[a,h]phenothiazine, 14-acetyl-, 7,7-dioxide14-Acetyl-7lambda~6~-dibenzo[a,h]phenothiazine-7,7(14H)-dione
Database identifiers
- CAS
3929-79-1- PubChem CID
- 243196
- DTXSID
DTXSID20287790
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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