Basic information
- Standard SMILES
COc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ccccc3C(=O)O)c(=O)[nH]2)cc2c1OCOC2- InChIKey
JTGBVAWNUWPLDN-UHFFFAOYSA-N- Molecular formula
- C28H24N6O7
- Average molar mass
- 556.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-{(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro[1,2,4]triazol-1-yl)benzoic acid
- IUPAC
- 2-[3-[(8-methoxy-4H-1,3-benzodioxin-6-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]benzoic acid
Names & synonyms
SCHEMBL2699852JTGBVAWNUWPLDN-UHFFFAOYSA-N2-(3-{(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro[1,2,4]triazol-1-yl)benzoic acid
Database identifiers
- PubChem CID
- 136389288
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 978
Related reactions
1 records
Compound notes
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