Basic information
- CAS
892688-92-5- Standard SMILES
O=c1c(-c2ccccc2)nnc2sc(-c3ccc4c(c3)OCCO4)nn12- InChIKey
YUMFFFSIDVNTGW-UHFFFAOYSA-N- Molecular formula
- C18H12N4O3S
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
- IUPAC
- 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
- English name
- 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
- Molecular formula
- C18H12N4O3S
- Molecular weight
- 364.38
Names & synonyms
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-oneSTK242422AKOS000656276AO-365/43368562BRD-K26812102-001-01-87-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one4H-[1,3,4]Thiadiazolo[2,3-c][1,2,4]triazin-4-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-
Database identifiers
- CAS
892688-92-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 686
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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