6-(1,3-Benzodioxol-5-yl)-3-phenyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine
Basic information
- CAS
842974-60-1- Standard SMILES
c1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)cc1- InChIKey
IFWVWPHFJLWGHE-UHFFFAOYSA-N- Molecular formula
- C17H12N4O2S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.06809681
Names & identifiers
- Preferred name
- 6-(1,3-Benzodioxol-5-yl)-3-phenyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine
- IUPAC
- 6-(1,3-benzodioxol-5-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Names & synonyms
842974-60-16-(1,3-Benzodioxol-5-yl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine6-(1,3-Benzodioxol-5-yl)-3-phenyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazineRefChem:3064346-(1,3-benzodioxol-5-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineSCHEMBL4348434DTXSID001141427STK555694AKOS0054820356-(2H-1,3-benzodioxol-5-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineST504217866-(benzo[d][1,3]dioxol-5-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Show more names
6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-phenyl-7H-1,2,4-triazolo[3,4-b]1,3,4-th iadiazine
Database identifiers
- CAS
842974-60-1- PubChem CID
- 933682
- DTXSID
DTXSID001141427
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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