MK-274

HCID 53316396

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Basic information

Standard SMILES: NC(=O)c1nc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[n-]1.O.[K+]
InChIKey: HEJCGNRJBFSGRM-UHFFFAOYSA-M
Molecular formula: C18H13F6KN4O3
Average molar mass: 486.4 g/mol
Monoisotopic mass: 486.05289075

Names & identifiers

Preferred name: MK-274
IUPAC: potassium;5-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-diene-3-carboxamide;hydrate

Names & synonyms

DTXSID5047328MK-274DTXCID3027328RefChem:357069NOCAS_47328Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)CHEMBL3188431Tox21_300224NCGC00248370-01NCGC00253991-01Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)[1,1'-biphenyl]-3-yl]-1,2,4-triazol-1-ide--water (1/1/1)

Database identifiers

PubChem CID: 53316396
DTXSID: DTXSID5047328
ChEMBL: CHEMBL3188431

Properties

Computed structural properties

Topological polar surface area: 80.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 614

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