Basic information
- CAS
56176-05-7- Standard SMILES
O=S1(=O)N=CN(c2cccc(C(F)(F)F)c2)c2ccncc21- InChIKey
AYVFALCVTHSZIT-UHFFFAOYSA-N- Molecular formula
- C13H8F3N3O2S
- Average molar mass
- 327.28 g/mol
- Monoisotopic mass
- 327.02893217
Names & identifiers
- Preferred name
- 4H-Pyrido(4,3-e)-1,2,4-thiadiazine, 4-(3-(trifluoromethyl)phenyl)-, 1,1-dioxide
- IUPAC
- 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Names & synonyms
C 2135BRN 10276954H-Pyrido(4,3-e)-1,2,4-thiadiazine, 4-(3-(trifluoromethyl)phenyl)-, 1,1-dioxide56176-05-7DTXSID502047134-(3-(Trifluoromethyl)phenyl)-4H-pyrido(4,3-e)-1,2,4-thiadiazine 1,1-dioxideRefChem:297853DTXCID801272044-[3-(Trifluoromethyl)phenyl]-1lambda~6~-pyrido[4,3-e][1,2,4]thiadiazine-1,1(4H)-dione
Database identifiers
- CAS
56176-05-7- PubChem CID
- 3043801
- DTXSID
DTXSID50204713
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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