Basic information
- Standard SMILES
CCc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)cc2c1OCOC2- InChIKey
LLGBGANCHNKFIP-UHFFFAOYSA-N- Molecular formula
- C26H24N8O4
- Average molar mass
- 512.5 g/mol
Names & identifiers
- Preferred name
- 5-{(8-ethyl-4H-benzo[1,3]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-[(8-ethyl-4H-1,3-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
SCHEMBL1620579LLGBGANCHNKFIP-UHFFFAOYSA-N5-{(8-ethyl-4H-benzo[1,3]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
- 136366454
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 849
Related reactions
3 records
Compound notes
Loading…