5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-
Basic information
- CAS
116758-68-0- Standard SMILES
O=c1nc2oc(-c3ccc4c(c3)OCO4)nn2c(=O)n1-c1ccccc1- InChIKey
KJVHZLRUKLHTMX-UHFFFAOYSA-N- Molecular formula
- C17H10N4O5
- Average molar mass
- 350.28 g/mol
- Monoisotopic mass
- 350.06511943
Names & identifiers
- Preferred name
- 5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Names & synonyms
5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-2-(1,3-Benzodioxol-5-yl)-6-phenyl-5H-1,3,4-oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione116758-68-0DTXSID00151501RefChem:305206DTXCID60739922-(2H-1,3-Benzodioxol-5-yl)-6-phenyl-5H-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
Database identifiers
- CAS
116758-68-0- PubChem CID
- 3087902
- DTXSID
DTXSID00151501
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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