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Basic information
- Standard SMILES
COc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c(F)c2c1OCCO2- InChIKey
VREZEETXCGOGJX-UHFFFAOYSA-N- Molecular formula
- C25H21FN8O5
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.16189396
Names & identifiers
- Preferred name
- 5-{(5-Fluoro-8-methoxy-2,3-dihydrobenzo[1,4]dioxin-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2-pyrimidin-2-yl-2,4-dihydro-[1,2,4]triazol-3-one
- IUPAC
- 5-[(5-fluoro-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-2-pyrimidin-2-yl-4H-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL1618907VREZEETXCGOGJX-UHFFFAOYSA-N5-{(5-fluoro-8-methoxy-2,3-dihydrobenzo[1,4]dioxin-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2-pyrimidin-2-yl-2,4-dihydro-[1,2,4]triazol-3-one
Database identifiers
- PubChem CID
- 136366154
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 889
Related reactions
3 records
Compound notes
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