Basic information
- CAS
780813-07-2- Standard SMILES
CC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(F)cc1- InChIKey
MTYLPHNWVRTVTB-UHFFFAOYSA-N- Molecular formula
- C12H11FN4O3S
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.05358956
Names & identifiers
- Preferred name
- 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N-(4-fluorophenyl)propanamide
- IUPAC
- 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
Names & synonyms
DTXSID801124685AKOS0023868972-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N-(4-fluorophenyl)propanamide780813-07-2AB00682906-01F3111-4567N-(4-Fluorophenyl)-2-[(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]propanamide2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
Database identifiers
- CAS
780813-07-2- PubChem CID
- 4099271
- DTXSID
DTXSID801124685
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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