3-(3-Chlorophenyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
Basic information
- CAS
117320-67-9- Standard SMILES
Clc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1- InChIKey
XGKRAGQAKPBCFD-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2N4S
- Average molar mass
- 361.2 g/mol
- Monoisotopic mass
- 360.0003229
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
- IUPAC
- 3-(3-chlorophenyl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Names & synonyms
117320-67-93-(3-Chlorophenyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine3-(3-Chlorophenyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazineRefChem:2741403-(3-chlorophenyl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineDTXSID801135177STK408061AKOS005434634
Database identifiers
- CAS
117320-67-9- PubChem CID
- 3797006
- DTXSID
DTXSID801135177
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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