1,2-Ethanedione, 1,2-di-10h-phenothiazin-10-yl-
Basic information
- CAS
6283-46-1- Standard SMILES
O=C(C(=O)N1c2ccccc2Sc2ccccc21)N1c2ccccc2Sc2ccccc21- InChIKey
LWNPJAXCRSELQF-UHFFFAOYSA-N- Molecular formula
- C26H16N2O2S2
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.0653201
Names & identifiers
- Preferred name
- 1,2-Ethanedione, 1,2-di-10h-phenothiazin-10-yl-
- IUPAC
- 1,2-di(phenothiazin-10-yl)ethane-1,2-dione
Names & synonyms
6283-46-11,2-di(phenothiazin-10-yl)ethane-1,2-dioneNSC-7508WIA4105SMCCHEMBL39172710H-Phenothiazine, 10,10'-(1,2-dioxo-1,2-ethanediyl)bis-1,2-ethanedione, 1,2-di-10h-phenothiazin-10-yl-NSC7508UNII-WIA4105SMC1,2-di(10H-phenothiazin-10-yl)ethane-1,2-dioneDTXSID40278468BDBM50219218
Show more names
PD179163Di(10H-phenothiazin-10-yl)ethane-1,2-dione
Database identifiers
- CAS
6283-46-1- PubChem CID
- 222149
- DTXSID
DTXSID40278468- ChEMBL
CHEMBL391727- UNII
- WIA4105SMC
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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