Basic information
- CAS
56234-74-3- Standard SMILES
CC1=NS(=O)(=O)c2cnccc2N1c1cccc(C(F)(F)F)c1- InChIKey
XMXIODVPEXHTOX-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O2S
- Average molar mass
- 341.31 g/mol
- Monoisotopic mass
- 341.04458223
Names & identifiers
- Preferred name
- 4H-Pyrido(4,3-e)-1,2,4-thiadiazine, 3-methyl-4-(3-(trifluoromethyl)phenyl)-, 1,1-dioxide
- IUPAC
- 3-methyl-4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Names & synonyms
JDL 142BRN 10350854H-Pyrido(4,3-e)-1,2,4-thiadiazine, 3-methyl-4-(3-(trifluoromethyl)phenyl)-, 1,1-dioxide56234-74-3DTXSID702047953-Methyl-4-(3-(trifluoromethyl)phenyl)-4H-pyrido(4,3-e)-1,2,4-thiadiazine 1,1-dioxideRefChem:297848DTXCID001272863-Methyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[4,3-e][1,2,4]thiadiazine-1,1(4H)-dione
Database identifiers
- CAS
56234-74-3- PubChem CID
- 3043872
- DTXSID
DTXSID70204795
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
- 23
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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